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

C13H19N3O — CID 61095768

IUPAC3,5-diamino-N-(cyclopentylmethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C13H19N3O/c14-11-5-10(6-12(15)7-11)13(17)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14-15H2,(H,16,17)
InChIKeyJPVCWEBZLVGKQS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.77
Rot. Bonds3

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

3,5-diamino-N-(cyclopentylmethyl)benzamide (PubChem CID 61095768) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3,5-diamino-N-(cyclopentylmethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(cyclopentylmethyl)benzamide
PubChem CID61095768
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3,5-diamino-N-(cyclopentylmethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C13H19N3O/c14-11-5-10(6-12(15)7-11)13(17)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14-15H2,(H,16,17)
InChIKeyJPVCWEBZLVGKQS-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118737
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
2-amino-N-(cyclopentylmethyl)-6-ethylpyridine-4-carboxamide
CID 113380993
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(cyclopentylmethyl)benzamide?
The IUPAC name of 3,5-diamino-N-(cyclopentylmethyl)benzamide (CID 61095768) is 3,5-diamino-N-(cyclopentylmethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(cyclopentylmethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(cyclopentylmethyl)benzamide is Nc1cc(N)cc(C(=O)NCC2CCCC2)c1.
What is the InChIKey of 3,5-diamino-N-(cyclopentylmethyl)benzamide?
The InChIKey is JPVCWEBZLVGKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-5-10(6-12(15)7-11)13(17)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14-15H2,(H,16,17).
What are the key properties of 3,5-diamino-N-(cyclopentylmethyl)benzamide?
3,5-diamino-N-(cyclopentylmethyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(cyclopentylmethyl)benzamide is sourced from PubChem (CID 61095768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).