1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide

C16H30N2O2 — CID 115441773

IUPAC1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CCO)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13-6-8-16(12-17,9-7-13)15(20)18(10-11-19)14-4-2-3-5-14/h13-14,19H,2-12,17H2,1H3
InChIKeyXHKFYMGTCFRFLB-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.91
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115441773) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID115441773
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CCO)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13-6-8-16(12-17,9-7-13)15(20)18(10-11-19)14-4-2-3-5-14/h13-14,19H,2-12,17H2,1H3
InChIKeyXHKFYMGTCFRFLB-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 107479421
1-(aminomethyl)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 115441783
2-amino-N-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 62776838
1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923406
1-N',1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923535
1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923652
1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923704
1-N',1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923706
1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923826
1-N',1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923828
2-[4-(2-aminopropyl)cyclohexyl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 69337794
2-[4-(1-aminopropyl)cyclohexyl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 69337795

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide (CID 115441773) is 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(CCO)C2CCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is XHKFYMGTCFRFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-6-8-16(12-17,9-7-13)15(20)18(10-11-19)14-4-2-3-5-14/h13-14,19H,2-12,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).