4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C18H34N2O — CID 102629043

IUPAC4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC2CCCCC2(C)C)C1(C)C
InChIInChI=1S/C18H34N2O/c1-12-14(19)10-9-13(18(12,4)5)16(21)20-15-8-6-7-11-17(15,2)3/h12-15H,6-11,19H2,1-5H3,(H,20,21)
InChIKeyININNWJYVRZPNI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.47
Rot. Bonds2

About 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629043) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629043
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC2CCCCC2(C)C)C1(C)C
InChIInChI=1S/C18H34N2O/c1-12-14(19)10-9-13(18(12,4)5)16(21)20-15-8-6-7-11-17(15,2)3/h12-15H,6-11,19H2,1-5H3,(H,20,21)
InChIKeyININNWJYVRZPNI-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629042
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322683
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 79878952
4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629161
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119790519
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629325

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629043) is 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NC2CCCCC2(C)C)C1(C)C.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is ININNWJYVRZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-12-14(19)10-9-13(18(12,4)5)16(21)20-15-8-6-7-11-17(15,2)3/h12-15H,6-11,19H2,1-5H3,(H,20,21).
What are the key properties of 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).