4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide

C17H32N2O — CID 43748782

IUPAC4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NC2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C17H32N2O/c1-11(2)15-9-4-12(3)10-16(15)19-14-7-5-13(6-8-14)17(18)20/h11-16,19H,4-10H2,1-3H3,(H2,18,20)
InChIKeyUSMRJFIOFDSOJG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds4

About 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide

4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide (PubChem CID 43748782) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
PubChem CID43748782
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NC2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C17H32N2O/c1-11(2)15-9-4-12(3)10-16(15)19-14-7-5-13(6-8-14)17(18)20/h11-16,19H,4-10H2,1-3H3,(H2,18,20)
InChIKeyUSMRJFIOFDSOJG-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
CID 43614944
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
CID 103981217
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43710247
cis-(1S,3R)-3-methylcyclopentane-1-carboxamide
CID 142105884
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
CID 65055017
4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 64761066
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide (CID 43748782) is 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide is CC1CCC(C(C)C)C(NC2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide?
The InChIKey is USMRJFIOFDSOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-11(2)15-9-4-12(3)10-16(15)19-14-7-5-13(6-8-14)17(18)20/h11-16,19H,4-10H2,1-3H3,(H2,18,20).
What are the key properties of 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide?
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).