5-N-(7-methyloctyl)pyridine-2,5-diamine

C14H25N3 — CID 107814726

IUPAC5-N-(7-methyloctyl)pyridine-2,5-diamine
SMILESCC(C)CCCCCCNc1ccc(N)nc1
InChIInChI=1S/C14H25N3/c1-12(2)7-5-3-4-6-10-16-13-8-9-14(15)17-11-13/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,15,17)
InChIKeyRQZDMMWLXJSRSV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.68
Rot. Bonds8

About 5-N-(7-methyloctyl)pyridine-2,5-diamine

5-N-(7-methyloctyl)pyridine-2,5-diamine (PubChem CID 107814726) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-N-(7-methyloctyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(7-methyloctyl)pyridine-2,5-diamine
PubChem CID107814726
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-N-(7-methyloctyl)pyridine-2,5-diamine
SMILESCC(C)CCCCCCNc1ccc(N)nc1
InChIInChI=1S/C14H25N3/c1-12(2)7-5-3-4-6-10-16-13-8-9-14(15)17-11-13/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,15,17)
InChIKeyRQZDMMWLXJSRSV-UHFFFAOYSA-N
XLogP3.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-(7-methyloctyl)pyridine-2,5-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 5-N-(7-methyloctyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(7-methyloctyl)pyridine-2,5-diamine (CID 107814726) is 5-N-(7-methyloctyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(7-methyloctyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(7-methyloctyl)pyridine-2,5-diamine is CC(C)CCCCCCNc1ccc(N)nc1.
What is the InChIKey of 5-N-(7-methyloctyl)pyridine-2,5-diamine?
The InChIKey is RQZDMMWLXJSRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)7-5-3-4-6-10-16-13-8-9-14(15)17-11-13/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,15,17).
What are the key properties of 5-N-(7-methyloctyl)pyridine-2,5-diamine?
5-N-(7-methyloctyl)pyridine-2,5-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(7-methyloctyl)pyridine-2,5-diamine is sourced from PubChem (CID 107814726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).