3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide

C15H28N2O — CID 79878952

IUPAC3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C15H28N2O/c1-15(2)9-4-3-8-13(15)17-14(18)11-6-5-7-12(16)10-11/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyWFMCYJUEMONYCK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.59
Rot. Bonds2

About 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide

3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 79878952) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID79878952
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C15H28N2O/c1-15(2)9-4-3-8-13(15)17-14(18)11-6-5-7-12(16)10-11/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyWFMCYJUEMONYCK-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119790519
3-amino-N-(2,2-dimethylcyclopentyl)cyclopentane-1-carboxamide
CID 79878788
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629043
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
3-amino-N-(2-cyclohexylcyclopropyl)cyclohexane-1-carboxamide
CID 119803900
2-amino-N-(2,2-dimethylcyclohexyl)-1-methylcyclopentane-1-carboxamide
CID 82768367
3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119684491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide (CID 79878952) is 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide is CC1(C)CCCCC1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is WFMCYJUEMONYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)9-4-3-8-13(15)17-14(18)11-6-5-7-12(16)10-11/h11-13H,3-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide?
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79878952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).