4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide

C17H32N2O — CID 81393218

IUPAC4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(CN)CC1)C1CCCCCC1
InChIInChI=1S/C17H32N2O/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h13-16H,2-12,18H2,1H3,(H,19,20)/t13-,14?,16?/m0/s1
InChIKeyVJQQUFWYQAURPE-HLIUYOAVSA-N
MW280.46 g/mol
LogP3.23
Rot. Bonds4

About 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide (PubChem CID 81393218) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
PubChem CID81393218
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(CN)CC1)C1CCCCCC1
InChIInChI=1S/C17H32N2O/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h13-16H,2-12,18H2,1H3,(H,19,20)/t13-,14?,16?/m0/s1
InChIKeyVJQQUFWYQAURPE-HLIUYOAVSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
N-[(1R)-1-cyclohexylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81386633
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-(1-piperidin-4-ylethyl)cyclooctanecarboxamide
CID 65018639
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide (CID 81393218) is 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCC(CN)CC1)C1CCCCCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide?
The InChIKey is VJQQUFWYQAURPE-HLIUYOAVSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h13-16H,2-12,18H2,1H3,(H,19,20)/t13-,14?,16?/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81393218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).