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

C17H32N2O — CID 64554630

IUPAC1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
SMILESCCC1CCC(CNC(=O)C2(N)CCCC(C)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-14-6-8-15(9-7-14)12-19-16(20)17(18)10-4-5-13(2)11-17/h13-15H,3-12,18H2,1-2H3,(H,19,20)
InChIKeyVCUCLEXDQZJQRC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.23
Rot. Bonds4

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

1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 64554630) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
PubChem CID64554630
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
SMILESCCC1CCC(CNC(=O)C2(N)CCCC(C)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-14-6-8-15(9-7-14)12-19-16(20)17(18)10-4-5-13(2)11-17/h13-15H,3-12,18H2,1-2H3,(H,19,20)
InChIKeyVCUCLEXDQZJQRC-UHFFFAOYSA-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

1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 65119100
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64548994
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide (CID 64554630) is 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide is CCC1CCC(CNC(=O)C2(N)CCCC(C)C2)CC1.
What is the InChIKey of 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is VCUCLEXDQZJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-14-6-8-15(9-7-14)12-19-16(20)17(18)10-4-5-13(2)11-17/h13-15H,3-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-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 1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).