N-propyl-1-quinolin-2-ylpent-4-en-2-amine

C17H22N2 — CID 116661099

IUPACN-propyl-1-quinolin-2-ylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc2ccccc2n1)NCCC
InChIInChI=1S/C17H22N2/c1-3-7-15(18-12-4-2)13-16-11-10-14-8-5-6-9-17(14)19-16/h3,5-6,8-11,15,18H,1,4,7,12-13H2,2H3
InChIKeyJZPQBYWWSYNJRM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.72
Rot. Bonds7

About N-propyl-1-quinolin-2-ylpent-4-en-2-amine

N-propyl-1-quinolin-2-ylpent-4-en-2-amine (PubChem CID 116661099) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-propyl-1-quinolin-2-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN-propyl-1-quinolin-2-ylpent-4-en-2-amine
PubChem CID116661099
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-propyl-1-quinolin-2-ylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc2ccccc2n1)NCCC
InChIInChI=1S/C17H22N2/c1-3-7-15(18-12-4-2)13-16-11-10-14-8-5-6-9-17(14)19-16/h3,5-6,8-11,15,18H,1,4,7,12-13H2,2H3
InChIKeyJZPQBYWWSYNJRM-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-1-quinolin-2-ylpent-4-en-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 N-propyl-1-quinolin-2-ylpent-4-en-2-amine?
The IUPAC name of N-propyl-1-quinolin-2-ylpent-4-en-2-amine (CID 116661099) is N-propyl-1-quinolin-2-ylpent-4-en-2-amine.
What is the SMILES notation for N-propyl-1-quinolin-2-ylpent-4-en-2-amine?
The canonical SMILES for N-propyl-1-quinolin-2-ylpent-4-en-2-amine is C=CCC(Cc1ccc2ccccc2n1)NCCC.
What is the InChIKey of N-propyl-1-quinolin-2-ylpent-4-en-2-amine?
The InChIKey is JZPQBYWWSYNJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-7-15(18-12-4-2)13-16-11-10-14-8-5-6-9-17(14)19-16/h3,5-6,8-11,15,18H,1,4,7,12-13H2,2H3.
What are the key properties of N-propyl-1-quinolin-2-ylpent-4-en-2-amine?
N-propyl-1-quinolin-2-ylpent-4-en-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-quinolin-2-ylpent-4-en-2-amine is sourced from PubChem (CID 116661099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).