2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid

C18H27NO2 — CID 43322139

IUPAC2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
SMILESCCC(C)(C)C1CCC(Nc2ccccc2C(=O)O)CC1
InChIInChI=1S/C18H27NO2/c1-4-18(2,3)13-9-11-14(12-10-13)19-16-8-6-5-7-15(16)17(20)21/h5-8,13-14,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyOVKUCSAKNGGNCK-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.79
Rot. Bonds5

About 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid

2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid (PubChem CID 43322139) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
PubChem CID43322139
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
SMILESCCC(C)(C)C1CCC(Nc2ccccc2C(=O)O)CC1
InChIInChI=1S/C18H27NO2/c1-4-18(2,3)13-9-11-14(12-10-13)19-16-8-6-5-7-15(16)17(20)21/h5-8,13-14,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyOVKUCSAKNGGNCK-UHFFFAOYSA-N
XLogP4.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic 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

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-nitroaniline
CID 43225012
3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
methyl 2-(cyclopropylamino)benzoate
CID 83697867
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676
2-(3-hydroxypentan-3-ylamino)benzoic acid
CID 175069795
2-(cyclopropylamino)benzamide
CID 119089293
2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 43400425
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715873
2-amino-1-[2-(cyclopropylamino)phenyl]ethanone
CID 83817941
2-[(3-phenylcyclobutyl)amino]benzoic acid
CID 43632305

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid (CID 43322139) is 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid is CCC(C)(C)C1CCC(Nc2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid?
The InChIKey is OVKUCSAKNGGNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-18(2,3)13-9-11-14(12-10-13)19-16-8-6-5-7-15(16)17(20)21/h5-8,13-14,19H,4,9-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid?
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid has a molecular weight of 289.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid is sourced from PubChem (CID 43322139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).