4-[(3-aminocyclohexyl)amino]benzamide

C13H19N3O — CID 79458720

IUPAC4-[(3-aminocyclohexyl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CCCC(N)C2)cc1
InChIInChI=1S/C13H19N3O/c14-10-2-1-3-12(8-10)16-11-6-4-9(5-7-11)13(15)17/h4-7,10,12,16H,1-3,8,14H2,(H2,15,17)
InChIKeyFPWJTYBNUGDDCE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.47
Rot. Bonds3

About 4-[(3-aminocyclohexyl)amino]benzamide

4-[(3-aminocyclohexyl)amino]benzamide (PubChem CID 79458720) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(3-aminocyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-[(3-aminocyclohexyl)amino]benzamide
PubChem CID79458720
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(3-aminocyclohexyl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CCCC(N)C2)cc1
InChIInChI=1S/C13H19N3O/c14-10-2-1-3-12(8-10)16-11-6-4-9(5-7-11)13(15)17/h4-7,10,12,16H,1-3,8,14H2,(H2,15,17)
InChIKeyFPWJTYBNUGDDCE-UHFFFAOYSA-N
XLogP1.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3-aminocyclohexyl)amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohexyl)amino]benzamide?
The IUPAC name of 4-[(3-aminocyclohexyl)amino]benzamide (CID 79458720) is 4-[(3-aminocyclohexyl)amino]benzamide.
What is the SMILES notation for 4-[(3-aminocyclohexyl)amino]benzamide?
The canonical SMILES for 4-[(3-aminocyclohexyl)amino]benzamide is NC(=O)c1ccc(NC2CCCC(N)C2)cc1.
What is the InChIKey of 4-[(3-aminocyclohexyl)amino]benzamide?
The InChIKey is FPWJTYBNUGDDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-10-2-1-3-12(8-10)16-11-6-4-9(5-7-11)13(15)17/h4-7,10,12,16H,1-3,8,14H2,(H2,15,17).
What are the key properties of 4-[(3-aminocyclohexyl)amino]benzamide?
4-[(3-aminocyclohexyl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohexyl)amino]benzamide is sourced from PubChem (CID 79458720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).