1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide

C16H30N2O — CID 94432129

IUPAC1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(14-8-4-2-5-9-14)18-15(19)16(12-17)10-6-3-7-11-16/h13-14H,2-12,17H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyVELZHGDICXXHRQ-ZDUSSCGKSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds4

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

1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide (PubChem CID 94432129) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
PubChem CID94432129
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1(CN)CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(14-8-4-2-5-9-14)18-15(19)16(12-17)10-6-3-7-11-16/h13-14H,2-12,17H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyVELZHGDICXXHRQ-ZDUSSCGKSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(1-cyclohexylethyl)cyclopropane-1-carboxamide
CID 80587607
1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
CID 115453569
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
2-(1-aminocyclohexyl)-N-(1-cyclopentylethyl)acetamide
CID 64679071
2-(1-aminocyclohexyl)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389349

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide (CID 94432129) is 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1(CN)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
The InChIKey is VELZHGDICXXHRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(14-8-4-2-5-9-14)18-15(19)16(12-17)10-6-3-7-11-16/h13-14H,2-12,17H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 94432129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).