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4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine

4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine structure

CAS No:
80770-03-2
Formula:
C15H21N3
Chemical Name:
4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine
Synonyms:
4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine;4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine, (+)-isomer;4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine, (-);4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine, diazonium sulfate;4-CMMBA;CHEMBL163631;SCHEMBL11369428;CTK5E8122

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4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine Basic Attributes

Molecular Weight：

243.354

Exact Mass：

243.174

Characteristics

PSA：

32.5

XLogP3：

Density：

1.22±0.1 g/cm3(Predicted)

Melting Point：

143-145 °C(Solv: acetonitrile (75-05-8))

Drug Information

MeSH Entry Terms：

4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine

Computed Properties

Molecular Weight:243.35
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:243.173547683
Monoisotopic Mass:243.173547683
Topological Polar Surface Area:32.5
Heavy Atom Count:18
Complexity:315
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine

Basic Attributes
Characteristics
Drug Information
Computed Properties

4-(cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine

SDS

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