5-amino-2-[(3-methylcyclopentyl)amino]benzamide

C13H19N3O — CID 114550804

IUPAC5-amino-2-[(3-methylcyclopentyl)amino]benzamide
SMILESCC1CCC(Nc2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C13H19N3O/c1-8-2-4-10(6-8)16-12-5-3-9(14)7-11(12)13(15)17/h3,5,7-8,10,16H,2,4,6,14H2,1H3,(H2,15,17)
InChIKeyVGQBOOMSKYOPNP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds3

About 5-amino-2-[(3-methylcyclopentyl)amino]benzamide

5-amino-2-[(3-methylcyclopentyl)amino]benzamide (PubChem CID 114550804) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-amino-2-[(3-methylcyclopentyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(3-methylcyclopentyl)amino]benzamide
PubChem CID114550804
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-amino-2-[(3-methylcyclopentyl)amino]benzamide
SMILESCC1CCC(Nc2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C13H19N3O/c1-8-2-4-10(6-8)16-12-5-3-9(14)7-11(12)13(15)17/h3,5,7-8,10,16H,2,4,6,14H2,1H3,(H2,15,17)
InChIKeyVGQBOOMSKYOPNP-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
CID 106322091
2-[(3-methylcyclopentyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 114546656
2-amino-5-[(4-methylcyclohexyl)amino]pyridine-4-carboxamide
CID 114194775
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
5-amino-2-(dicyclopropylmethylamino)benzamide
CID 61481275
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
2,4-dichloro-N-(3-methylcyclopentyl)aniline
CID 64502454
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methylcyclopentyl)amino]benzamide?
The IUPAC name of 5-amino-2-[(3-methylcyclopentyl)amino]benzamide (CID 114550804) is 5-amino-2-[(3-methylcyclopentyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[(3-methylcyclopentyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[(3-methylcyclopentyl)amino]benzamide is CC1CCC(Nc2ccc(N)cc2C(N)=O)C1.
What is the InChIKey of 5-amino-2-[(3-methylcyclopentyl)amino]benzamide?
The InChIKey is VGQBOOMSKYOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-2-4-10(6-8)16-12-5-3-9(14)7-11(12)13(15)17/h3,5,7-8,10,16H,2,4,6,14H2,1H3,(H2,15,17).
What are the key properties of 5-amino-2-[(3-methylcyclopentyl)amino]benzamide?
5-amino-2-[(3-methylcyclopentyl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methylcyclopentyl)amino]benzamide is sourced from PubChem (CID 114550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).