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

C19H29N3 — CID 122192099

IUPAC5-(5-aminopentyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCCCN)cccc2nc1N
InChIInChI=1S/C19H29N3/c1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22)
InChIKeyKXRSZOZNBMLFPT-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.22
Rot. Bonds9

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

5-(5-aminopentyl)-3-pentylquinolin-2-amine (PubChem CID 122192099) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-(5-aminopentyl)-3-pentylquinolin-2-amine.

Molecular Properties

Compound Name5-(5-aminopentyl)-3-pentylquinolin-2-amine
PubChem CID122192099
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name5-(5-aminopentyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCCCN)cccc2nc1N
InChIInChI=1S/C19H29N3/c1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22)
InChIKeyKXRSZOZNBMLFPT-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 5-(5-aminopentyl)-3-pentylquinolin-2-amine?
The IUPAC name of 5-(5-aminopentyl)-3-pentylquinolin-2-amine (CID 122192099) is 5-(5-aminopentyl)-3-pentylquinolin-2-amine.
What is the SMILES notation for 5-(5-aminopentyl)-3-pentylquinolin-2-amine?
The canonical SMILES for 5-(5-aminopentyl)-3-pentylquinolin-2-amine is CCCCCc1cc2c(CCCCCN)cccc2nc1N.
What is the InChIKey of 5-(5-aminopentyl)-3-pentylquinolin-2-amine?
The InChIKey is KXRSZOZNBMLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22).
What are the key properties of 5-(5-aminopentyl)-3-pentylquinolin-2-amine?
5-(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 5-(5-aminopentyl)-3-pentylquinolin-2-amine is sourced from PubChem (CID 122192099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).