5-(3-aminopropyl)-3-pentylquinolin-2-amine

C17H25N3 — CID 122192098

IUPAC5-(3-aminopropyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCN)cccc2nc1N
InChIInChI=1S/C17H25N3/c1-2-3-4-7-14-12-15-13(9-6-11-18)8-5-10-16(15)20-17(14)19/h5,8,10,12H,2-4,6-7,9,11,18H2,1H3,(H2,19,20)
InChIKeyKWXKDWNXFVZPOZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.44
Rot. Bonds7

About 5-(3-aminopropyl)-3-pentylquinolin-2-amine

5-(3-aminopropyl)-3-pentylquinolin-2-amine (PubChem CID 122192098) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-pentylquinolin-2-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-pentylquinolin-2-amine
PubChem CID122192098
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(3-aminopropyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCN)cccc2nc1N
InChIInChI=1S/C17H25N3/c1-2-3-4-7-14-12-15-13(9-6-11-18)8-5-10-16(15)20-17(14)19/h5,8,10,12H,2-4,6-7,9,11,18H2,1H3,(H2,19,20)
InChIKeyKWXKDWNXFVZPOZ-UHFFFAOYSA-N
XLogP3.44
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminopropyl)-3-pentylquinolin-2-amine 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-(3-aminopropyl)-3-pentylquinolin-2-amine?
The IUPAC name of 5-(3-aminopropyl)-3-pentylquinolin-2-amine (CID 122192098) is 5-(3-aminopropyl)-3-pentylquinolin-2-amine.
What is the SMILES notation for 5-(3-aminopropyl)-3-pentylquinolin-2-amine?
The canonical SMILES for 5-(3-aminopropyl)-3-pentylquinolin-2-amine is CCCCCc1cc2c(CCCN)cccc2nc1N.
What is the InChIKey of 5-(3-aminopropyl)-3-pentylquinolin-2-amine?
The InChIKey is KWXKDWNXFVZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-7-14-12-15-13(9-6-11-18)8-5-10-16(15)20-17(14)19/h5,8,10,12H,2-4,6-7,9,11,18H2,1H3,(H2,19,20).
What are the key properties of 5-(3-aminopropyl)-3-pentylquinolin-2-amine?
5-(3-aminopropyl)-3-pentylquinolin-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-pentylquinolin-2-amine is sourced from PubChem (CID 122192098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).