1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C18H28N2 — CID 114336346

IUPAC1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCNC1CCCN(CC2CCCC2)c2ccccc21
InChIInChI=1S/C18H28N2/c1-2-19-17-11-7-13-20(14-15-8-3-4-9-15)18-12-6-5-10-16(17)18/h5-6,10,12,15,17,19H,2-4,7-9,11,13-14H2,1H3
InChIKeyUJYPAIIVROGJQI-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.13
Rot. Bonds4

About 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336346) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336346
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCNC1CCCN(CC2CCCC2)c2ccccc21
InChIInChI=1S/C18H28N2/c1-2-19-17-11-7-13-20(14-15-8-3-4-9-15)18-12-6-5-10-16(17)18/h5-6,10,12,15,17,19H,2-4,7-9,11,13-14H2,1H3
InChIKeyUJYPAIIVROGJQI-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
CID 114336423
N-ethyl-1-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336343
N-ethyl-1-[(1-methyltriazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 107040750
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
1-(cyclopropylmethylsulfonyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335958
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
N-ethyl-1-(4-ethylcyclohexyl)-3,4-dihydro-2H-quinolin-4-amine
CID 64749629
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2,2-dimethylbutan-1-one
CID 114335814
N-cyclobutyl-5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335871
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336368
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 106449014

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336346) is 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCNC1CCCN(CC2CCCC2)c2ccccc21.
What is the InChIKey of 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is UJYPAIIVROGJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-19-17-11-7-13-20(14-15-8-3-4-9-15)18-12-6-5-10-16(17)18/h5-6,10,12,15,17,19H,2-4,7-9,11,13-14H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 272.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).