4-[(4-tert-butylcyclohexyl)amino]benzoic acid

C17H25NO2 — CID 43139224

IUPAC4-[(4-tert-butylcyclohexyl)amino]benzoic acid
SMILESCC(C)(C)C1CCC(Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)13-6-10-15(11-7-13)18-14-8-4-12(5-9-14)16(19)20/h4-5,8-9,13,15,18H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVZAFXGPXLCAULR-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.40
Rot. Bonds3

About 4-[(4-tert-butylcyclohexyl)amino]benzoic acid

4-[(4-tert-butylcyclohexyl)amino]benzoic acid (PubChem CID 43139224) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-tert-butylcyclohexyl)amino]benzoic acid
PubChem CID43139224
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(4-tert-butylcyclohexyl)amino]benzoic acid
SMILESCC(C)(C)C1CCC(Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)13-6-10-15(11-7-13)18-14-8-4-12(5-9-14)16(19)20/h4-5,8-9,13,15,18H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVZAFXGPXLCAULR-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-tert-butylcyclohexyl)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

4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
CID 61237684
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
4-[(4,4-dimethylcycloheptyl)amino]benzoic acid
CID 65083920
4-(cyclopropylamino)benzamide
CID 103605968
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid
CID 63302717
methyl 4-[(4-tert-butylcyclohexyl)carbamoylamino]benzoate
CID 17217886
3-[(4-tert-butylcyclohexyl)amino]-4-chloroisoquinoline-6-carboxylic acid
CID 90027780
4-[(3-aminocyclohexyl)amino]benzoic acid
CID 79459514

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylcyclohexyl)amino]benzoic acid?
The IUPAC name of 4-[(4-tert-butylcyclohexyl)amino]benzoic acid (CID 43139224) is 4-[(4-tert-butylcyclohexyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-tert-butylcyclohexyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-tert-butylcyclohexyl)amino]benzoic acid is CC(C)(C)C1CCC(Nc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[(4-tert-butylcyclohexyl)amino]benzoic acid?
The InChIKey is VZAFXGPXLCAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)13-6-10-15(11-7-13)18-14-8-4-12(5-9-14)16(19)20/h4-5,8-9,13,15,18H,6-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[(4-tert-butylcyclohexyl)amino]benzoic acid?
4-[(4-tert-butylcyclohexyl)amino]benzoic acid has a molecular weight of 275.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylcyclohexyl)amino]benzoic acid is sourced from PubChem (CID 43139224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).