4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

C17H31NO2 — CID 102631115

IUPAC4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NC2CCC(C)(C)C2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C17H31NO2/c1-11-14(18-12-8-9-16(2,3)10-12)7-6-13(15(19)20)17(11,4)5/h11-14,18H,6-10H2,1-5H3,(H,19,20)
InChIKeyOUHPONPJVLBOOP-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.68
Rot. Bonds3

About 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 102631115) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID102631115
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NC2CCC(C)(C)C2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C17H31NO2/c1-11-14(18-12-8-9-16(2,3)10-12)7-6-13(15(19)20)17(11,4)5/h11-14,18H,6-10H2,1-5H3,(H,19,20)
InChIKeyOUHPONPJVLBOOP-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid 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-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631049
4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631024
4-[(1,1-dioxothian-3-yl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631026
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
4-[(2-amino-2-oxoethyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630911
2,2,3-trimethyl-4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxylic acid
CID 102631038
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631044
4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631050
4-(cyclobutylmethylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630777
2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid
CID 102627992
4-(cycloheptylmethylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631085
4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630855

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid (CID 102631115) is 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid is CC1C(NC2CCC(C)(C)C2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is OUHPONPJVLBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-11-14(18-12-8-9-16(2,3)10-12)7-6-13(15(19)20)17(11,4)5/h11-14,18H,6-10H2,1-5H3,(H,19,20).
What are the key properties of 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).