6-(5-aminopentyl)-3-pentylquinolin-2-amine

C19H29N3 — CID 122192104

IUPAC6-(5-aminopentyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2cc(CCCCCN)ccc2nc1N
InChIInChI=1S/C19H29N3/c1-2-3-5-9-16-14-17-13-15(8-6-4-7-12-20)10-11-18(17)22-19(16)21/h10-11,13-14H,2-9,12,20H2,1H3,(H2,21,22)
InChIKeyQXLCSSGVQHFZIT-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.22
Rot. Bonds9

About 6-(5-aminopentyl)-3-pentylquinolin-2-amine

6-(5-aminopentyl)-3-pentylquinolin-2-amine (PubChem CID 122192104) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 6-(5-aminopentyl)-3-pentylquinolin-2-amine.

Molecular Properties

Compound Name6-(5-aminopentyl)-3-pentylquinolin-2-amine
PubChem CID122192104
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name6-(5-aminopentyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2cc(CCCCCN)ccc2nc1N
InChIInChI=1S/C19H29N3/c1-2-3-5-9-16-14-17-13-15(8-6-4-7-12-20)10-11-18(17)22-19(16)21/h10-11,13-14H,2-9,12,20H2,1H3,(H2,21,22)
InChIKeyQXLCSSGVQHFZIT-UHFFFAOYSA-N
XLogP4.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-aminopentyl)-3-pentylquinolin-2-amine?
The IUPAC name of 6-(5-aminopentyl)-3-pentylquinolin-2-amine (CID 122192104) is 6-(5-aminopentyl)-3-pentylquinolin-2-amine.
What is the SMILES notation for 6-(5-aminopentyl)-3-pentylquinolin-2-amine?
The canonical SMILES for 6-(5-aminopentyl)-3-pentylquinolin-2-amine is CCCCCc1cc2cc(CCCCCN)ccc2nc1N.
What is the InChIKey of 6-(5-aminopentyl)-3-pentylquinolin-2-amine?
The InChIKey is QXLCSSGVQHFZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-3-5-9-16-14-17-13-15(8-6-4-7-12-20)10-11-18(17)22-19(16)21/h10-11,13-14H,2-9,12,20H2,1H3,(H2,21,22).
What are the key properties of 6-(5-aminopentyl)-3-pentylquinolin-2-amine?
6-(5-aminopentyl)-3-pentylquinolin-2-amine has a molecular weight of 299.46 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminopentyl)-3-pentylquinolin-2-amine is sourced from PubChem (CID 122192104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).