5H-Pyrido(3,2-b)azepine-5-propanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-, dihydrochloride

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Basic information

CAS: 69584-57-2
Standard SMILES: CN(C)CCCN1CCCCc2ncccc21.Cl.Cl
InChIKey: UZXUDSANHCJZEW-UHFFFAOYSA-N
Molecular formula: C14H25Cl2N3
Average molar mass: 306.3 g/mol
Monoisotopic mass: 305.1425532

Names & identifiers

Preferred name: 5H-Pyrido(3,2-b)azepine-5-propanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-, dihydrochloride
IUPAC: N,N-dimethyl-3-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)propan-1-amine;dihydrochloride

Names & synonyms

5H-Pyrido(3,2-b)azepine-5-propanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-, dihydrochlorideN,N-Dimethyl-6,7,8,9-tetrahydro-5H-pyrido(3,2-b)azepine-5-propanamine dihydrochloride69584-57-2DTXSID80219850(Dimethylamino-3' propyl)-1 tetrahydro-2,3,4,5 1H-pyrido(3,2-b)azepine [French](Dimethylamino-3' propyl)-1 tetrahydro-2,3,4,5 1H-pyrido(3,2-b)azepineRefChem:305748DTXCID30142341N,N-Dimethyl-3-(6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepin-5-yl)propan-1-amine--hydrogen chloride (1/2)

Database identifiers

CAS: 69584-57-2
PubChem CID: 3053201
DTXSID: DTXSID80219850

Properties

Computed structural properties

Topological polar surface area: 19.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 218

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