3,5-diamino-N-(3-methylcyclopentyl)benzamide

C13H19N3O — CID 114542578

IUPAC3,5-diamino-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)cc(N)c2)C1
InChIInChI=1S/C13H19N3O/c1-8-2-3-12(4-8)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,2-4,14-15H2,1H3,(H,16,17)
InChIKeyMJFSUYZHBAHGPY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.77
Rot. Bonds2

About 3,5-diamino-N-(3-methylcyclopentyl)benzamide

3,5-diamino-N-(3-methylcyclopentyl)benzamide (PubChem CID 114542578) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3,5-diamino-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-methylcyclopentyl)benzamide
PubChem CID114542578
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3,5-diamino-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)cc(N)c2)C1
InChIInChI=1S/C13H19N3O/c1-8-2-3-12(4-8)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,2-4,14-15H2,1H3,(H,16,17)
InChIKeyMJFSUYZHBAHGPY-UHFFFAOYSA-N
XLogP1.77
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.77
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

3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
5-methyl-N-(3-methylcyclopentyl)furan-3-carboxamide
CID 114821709
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 3,5-diamino-N-(3-methylcyclopentyl)benzamide (CID 114542578) is 3,5-diamino-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2cc(N)cc(N)c2)C1.
What is the InChIKey of 3,5-diamino-N-(3-methylcyclopentyl)benzamide?
The InChIKey is MJFSUYZHBAHGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-2-3-12(4-8)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,2-4,14-15H2,1H3,(H,16,17).
What are the key properties of 3,5-diamino-N-(3-methylcyclopentyl)benzamide?
3,5-diamino-N-(3-methylcyclopentyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 114542578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).