4-[(2-aminocyclohexyl)amino]benzoic acid

C13H18N2O2 — CID 62230691

IUPAC4-[(2-aminocyclohexyl)amino]benzoic acid
SMILESNC1CCCCC1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H18N2O2/c14-11-3-1-2-4-12(11)15-10-7-5-9(6-8-10)13(16)17/h5-8,11-12,15H,1-4,14H2,(H,16,17)
InChIKeyKDOBKRZNPPLXTM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.07
Rot. Bonds3

About 4-[(2-aminocyclohexyl)amino]benzoic acid

4-[(2-aminocyclohexyl)amino]benzoic acid (PubChem CID 62230691) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)amino]benzoic acid
PubChem CID62230691
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(2-aminocyclohexyl)amino]benzoic acid
SMILESNC1CCCCC1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H18N2O2/c14-11-3-1-2-4-12(11)15-10-7-5-9(6-8-10)13(16)17/h5-8,11-12,15H,1-4,14H2,(H,16,17)
InChIKeyKDOBKRZNPPLXTM-UHFFFAOYSA-N
XLogP2.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
4-[(3-aminocyclohexyl)amino]benzoic acid
CID 79459514
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
3-[(2-aminocyclohexyl)sulfamoyl]-4-bromobenzoic acid
CID 61404616
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
CID 102571486

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)amino]benzoic acid?
The IUPAC name of 4-[(2-aminocyclohexyl)amino]benzoic acid (CID 62230691) is 4-[(2-aminocyclohexyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-aminocyclohexyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-aminocyclohexyl)amino]benzoic acid is NC1CCCCC1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-aminocyclohexyl)amino]benzoic acid?
The InChIKey is KDOBKRZNPPLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-3-1-2-4-12(11)15-10-7-5-9(6-8-10)13(16)17/h5-8,11-12,15H,1-4,14H2,(H,16,17).
What are the key properties of 4-[(2-aminocyclohexyl)amino]benzoic acid?
4-[(2-aminocyclohexyl)amino]benzoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)amino]benzoic acid is sourced from PubChem (CID 62230691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).