N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

C17H24N2 — CID 103314167

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESc1ccc2c(c1)CCC(N(CC1CC1)C1CC1)CN2
InChIInChI=1S/C17H24N2/c1-2-4-17-14(3-1)7-8-16(11-18-17)19(15-9-10-15)12-13-5-6-13/h1-4,13,15-16,18H,5-12H2
InChIKeySKAVKLFQXQSMPU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.29
Rot. Bonds4

About N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (PubChem CID 103314167) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
PubChem CID103314167
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESc1ccc2c(c1)CCC(N(CC1CC1)C1CC1)CN2
InChIInChI=1S/C17H24N2/c1-2-4-17-14(3-1)7-8-16(11-18-17)19(15-9-10-15)12-13-5-6-13/h1-4,13,15-16,18H,5-12H2
InChIKeySKAVKLFQXQSMPU-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314157
(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
CID 103314051
N-(2-methylpropyl)-N-pentan-3-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314187
N-[(2-bromophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314084
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314140
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085
3-phenylsulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314427
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
CID 106902297
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (CID 103314167) is N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is c1ccc2c(c1)CCC(N(CC1CC1)C1CC1)CN2.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The InChIKey is SKAVKLFQXQSMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-17-14(3-1)7-8-16(11-18-17)19(15-9-10-15)12-13-5-6-13/h1-4,13,15-16,18H,5-12H2.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine has a molecular weight of 256.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is sourced from PubChem (CID 103314167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).