5-(4-aminobutyl)-3-pentylquinolin-2-amine

C18H27N3 — CID 121231448

IUPAC5-(4-aminobutyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCCN)cccc2nc1N
InChIInChI=1S/C18H27N3/c1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20/h7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21)
InChIKeyGHXJTPWIBLPAON-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.83
Rot. Bonds8

About 5-(4-aminobutyl)-3-pentylquinolin-2-amine

5-(4-aminobutyl)-3-pentylquinolin-2-amine (PubChem CID 121231448) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-(4-aminobutyl)-3-pentylquinolin-2-amine.

Molecular Properties

Compound Name5-(4-aminobutyl)-3-pentylquinolin-2-amine
PubChem CID121231448
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-(4-aminobutyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCCN)cccc2nc1N
InChIInChI=1S/C18H27N3/c1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20/h7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21)
InChIKeyGHXJTPWIBLPAON-UHFFFAOYSA-N
XLogP3.83
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.83
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-(4-aminobutyl)-3-pentylquinolin-2-amine?
The IUPAC name of 5-(4-aminobutyl)-3-pentylquinolin-2-amine (CID 121231448) is 5-(4-aminobutyl)-3-pentylquinolin-2-amine.
What is the SMILES notation for 5-(4-aminobutyl)-3-pentylquinolin-2-amine?
The canonical SMILES for 5-(4-aminobutyl)-3-pentylquinolin-2-amine is CCCCCc1cc2c(CCCCN)cccc2nc1N.
What is the InChIKey of 5-(4-aminobutyl)-3-pentylquinolin-2-amine?
The InChIKey is GHXJTPWIBLPAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20/h7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21).
What are the key properties of 5-(4-aminobutyl)-3-pentylquinolin-2-amine?
5-(4-aminobutyl)-3-pentylquinolin-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-3-pentylquinolin-2-amine is sourced from PubChem (CID 121231448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).