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

C16H30N2O — CID 81386609

IUPAC2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCCCC1CN)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-12(13-7-3-2-4-8-13)18-16(19)15-10-6-5-9-14(15)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)/t12-,14?,15?/m0/s1
InChIKeyOMKRMAFEALRKKA-GRTSSRMGSA-N
MW266.43 g/mol
LogP2.84
Rot. Bonds4

About 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide (PubChem CID 81386609) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
PubChem CID81386609
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCCCC1CN)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-12(13-7-3-2-4-8-13)18-16(19)15-10-6-5-9-14(15)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)/t12-,14?,15?/m0/s1
InChIKeyOMKRMAFEALRKKA-GRTSSRMGSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
4-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 81073388
2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide
CID 115976493
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
CID 115426905
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
(2S)-4-amino-2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-4-oxobutanoic acid
CID 107824651
2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 107221301

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide (CID 81386609) is 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCCCC1CN)C1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
The InChIKey is OMKRMAFEALRKKA-GRTSSRMGSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(13-7-3-2-4-8-13)18-16(19)15-10-6-5-9-14(15)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)/t12-,14?,15?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81386609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).