4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide

C15H28N2O — CID 64761066

IUPAC4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
SMILESCC1CCCC(NC2CCC(C(N)=O)CC2)C1C
InChIInChI=1S/C15H28N2O/c1-10-4-3-5-14(11(10)2)17-13-8-6-12(7-9-13)15(16)18/h10-14,17H,3-9H2,1-2H3,(H2,16,18)
InChIKeyWOXFXTCQTVHYNW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds3

About 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide

4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide (PubChem CID 64761066) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
PubChem CID64761066
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
SMILESCC1CCCC(NC2CCC(C(N)=O)CC2)C1C
InChIInChI=1S/C15H28N2O/c1-10-4-3-5-14(11(10)2)17-13-8-6-12(7-9-13)15(16)18/h10-14,17H,3-9H2,1-2H3,(H2,16,18)
InChIKeyWOXFXTCQTVHYNW-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide
CID 129374130
3-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 86786408
4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852
N-(2,3-dimethylcyclohexyl)thian-4-amine
CID 43394865
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103234715
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 43748782
1-cyclopropyl-N-(2,3-dimethylcyclohexyl)piperidin-4-amine
CID 64761871
N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
CID 65082404
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine
CID 124828826

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide (CID 64761066) is 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide is CC1CCCC(NC2CCC(C(N)=O)CC2)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide?
The InChIKey is WOXFXTCQTVHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-4-3-5-14(11(10)2)17-13-8-6-12(7-9-13)15(16)18/h10-14,17H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide?
4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 64761066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).