1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide

C17H32N2O — CID 115441343

IUPAC1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(CN)CCC(C)CC1)C1CCCCC1
InChIInChI=1S/C17H32N2O/c1-3-19(15-7-5-4-6-8-15)16(20)17(13-18)11-9-14(2)10-12-17/h14-15H,3-13,18H2,1-2H3
InChIKeyWUHXHFAALFMUMN-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds4

About 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide (PubChem CID 115441343) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
PubChem CID115441343
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(CN)CCC(C)CC1)C1CCCCC1
InChIInChI=1S/C17H32N2O/c1-3-19(15-7-5-4-6-8-15)16(20)17(13-18)11-9-14(2)10-12-17/h14-15H,3-13,18H2,1-2H3
InChIKeyWUHXHFAALFMUMN-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441467
1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441773
1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 80587914
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
CID 115441330
1-(aminomethyl)-N-cycloheptyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80587321
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
1-[1-(aminomethyl)-4-methylcyclohexyl]butan-1-one
CID 116604029
1-(aminomethyl)-N-cyclopentyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 113311622
1-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 113310546
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 113310523
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 115441526

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide (CID 115441343) is 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide is CCN(C(=O)C1(CN)CCC(C)CC1)C1CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The InChIKey is WUHXHFAALFMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-19(15-7-5-4-6-8-15)16(20)17(13-18)11-9-14(2)10-12-17/h14-15H,3-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclohexyl-N-ethyl-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).