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

C20H31N3 — CID 122192100

IUPAC5-(6-aminohexyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCCCCN)cccc2nc1N
InChIInChI=1S/C20H31N3/c1-2-3-6-11-17-15-18-16(10-7-4-5-8-14-21)12-9-13-19(18)23-20(17)22/h9,12-13,15H,2-8,10-11,14,21H2,1H3,(H2,22,23)
InChIKeyRBCPLDHHPGHNGR-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.61
Rot. Bonds10

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

5-(6-aminohexyl)-3-pentylquinolin-2-amine (PubChem CID 122192100) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 5-(6-aminohexyl)-3-pentylquinolin-2-amine.

Molecular Properties

Compound Name5-(6-aminohexyl)-3-pentylquinolin-2-amine
PubChem CID122192100
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name5-(6-aminohexyl)-3-pentylquinolin-2-amine
SMILESCCCCCc1cc2c(CCCCCCN)cccc2nc1N
InChIInChI=1S/C20H31N3/c1-2-3-6-11-17-15-18-16(10-7-4-5-8-14-21)12-9-13-19(18)23-20(17)22/h9,12-13,15H,2-8,10-11,14,21H2,1H3,(H2,22,23)
InChIKeyRBCPLDHHPGHNGR-UHFFFAOYSA-N
XLogP4.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.61
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-(6-aminohexyl)-3-pentylquinolin-2-amine?
The IUPAC name of 5-(6-aminohexyl)-3-pentylquinolin-2-amine (CID 122192100) is 5-(6-aminohexyl)-3-pentylquinolin-2-amine.
What is the SMILES notation for 5-(6-aminohexyl)-3-pentylquinolin-2-amine?
The canonical SMILES for 5-(6-aminohexyl)-3-pentylquinolin-2-amine is CCCCCc1cc2c(CCCCCCN)cccc2nc1N.
What is the InChIKey of 5-(6-aminohexyl)-3-pentylquinolin-2-amine?
The InChIKey is RBCPLDHHPGHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-2-3-6-11-17-15-18-16(10-7-4-5-8-14-21)12-9-13-19(18)23-20(17)22/h9,12-13,15H,2-8,10-11,14,21H2,1H3,(H2,22,23).
What are the key properties of 5-(6-aminohexyl)-3-pentylquinolin-2-amine?
5-(6-aminohexyl)-3-pentylquinolin-2-amine has a molecular weight of 313.49 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminohexyl)-3-pentylquinolin-2-amine is sourced from PubChem (CID 122192100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).