2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide

C14H21N3O — CID 63632253

IUPAC2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H21N3O/c1-17(9-10-4-2-3-5-10)14(18)12-7-6-11(15)8-13(12)16/h6-8,10H,2-5,9,15-16H2,1H3
InChIKeyLDOCWYBBLGRAJN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.11
Rot. Bonds3

About 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide

2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide (PubChem CID 63632253) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
PubChem CID63632253
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H21N3O/c1-17(9-10-4-2-3-5-10)14(18)12-7-6-11(15)8-13(12)16/h6-8,10H,2-5,9,15-16H2,1H3
InChIKeyLDOCWYBBLGRAJN-UHFFFAOYSA-N
XLogP2.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 62860747
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide?
The IUPAC name of 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide (CID 63632253) is 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide?
The canonical SMILES for 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide is CN(CC1CCCC1)C(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide?
The InChIKey is LDOCWYBBLGRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(9-10-4-2-3-5-10)14(18)12-7-6-11(15)8-13(12)16/h6-8,10H,2-5,9,15-16H2,1H3.
What are the key properties of 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide?
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide is sourced from PubChem (CID 63632253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).