3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide

C17H32N2O — CID 62783548

IUPAC3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
SMILESCCC1CCC(CNC(=O)C2CCCC(N)C2C)CC1
InChIInChI=1S/C17H32N2O/c1-3-13-7-9-14(10-8-13)11-19-17(20)15-5-4-6-16(18)12(15)2/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyWAXQUPZKYHPCGR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds4

About 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide

3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 62783548) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
PubChem CID62783548
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
SMILESCCC1CCC(CNC(=O)C2CCCC(N)C2C)CC1
InChIInChI=1S/C17H32N2O/c1-3-13-7-9-14(10-8-13)11-19-17(20)15-5-4-6-16(18)12(15)2/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyWAXQUPZKYHPCGR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 63247870
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 114138626
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
CID 107295904
2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 62776858
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
CID 62781908
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide (CID 62783548) is 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide is CCC1CCC(CNC(=O)C2CCCC(N)C2C)CC1.
What is the InChIKey of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is WAXQUPZKYHPCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-13-7-9-14(10-8-13)11-19-17(20)15-5-4-6-16(18)12(15)2/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide?
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62783548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).