3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide

C15H28N2O — CID 55116462

IUPAC3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1C)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-3-17(12-7-4-5-8-12)15(18)13-9-6-10-14(16)11(13)2/h11-14H,3-10,16H2,1-2H3
InChIKeyDDGNSGBEXDTSHS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds3

About 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide

3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide (PubChem CID 55116462) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
PubChem CID55116462
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCC(N)C1C)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-3-17(12-7-4-5-8-12)15(18)13-9-6-10-14(16)11(13)2/h11-14H,3-10,16H2,1-2H3
InChIKeyDDGNSGBEXDTSHS-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 62777725
2-amino-N-cyclopentyl-N-ethyl-5-methylcyclohexane-1-carboxamide
CID 65455288
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
5-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 62781192
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 103191959
3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 55115501
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 63009884
3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 107871513
2-[ethyl(piperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361053
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide (CID 55116462) is 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide is CCN(C(=O)C1CCCC(N)C1C)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide?
The InChIKey is DDGNSGBEXDTSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-17(12-7-4-5-8-12)15(18)13-9-6-10-14(16)11(13)2/h11-14H,3-10,16H2,1-2H3.
What are the key properties of 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide?
3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 55116462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).