4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine

C14H23N3 — CID 114541916

IUPAC4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NC2CCC(C)C2)ccn1
InChIInChI=1S/C14H23N3/c1-3-7-15-14-10-13(6-8-16-14)17-12-5-4-11(2)9-12/h6,8,10-12H,3-5,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyOIXIFDILPMXXJL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.50
Rot. Bonds5

About 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine

4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 114541916) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
PubChem CID114541916
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NC2CCC(C)C2)ccn1
InChIInChI=1S/C14H23N3/c1-3-7-15-14-10-13(6-8-16-14)17-12-5-4-11(2)9-12/h6,8,10-12H,3-5,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyOIXIFDILPMXXJL-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine 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-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine (CID 114541916) is 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(NC2CCC(C)C2)ccn1.
What is the InChIKey of 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is OIXIFDILPMXXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-7-15-14-10-13(6-8-16-14)17-12-5-4-11(2)9-12/h6,8,10-12H,3-5,7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine?
4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 114541916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).