2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine

C16H20N2 — CID 105163698

IUPAC2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cccc2ncccc12
InChIInChI=1S/C16H20N2/c1-4-10-18-16(12(2)3)14-7-5-9-15-13(14)8-6-11-17-15/h5-9,11,16,18H,2,4,10H2,1,3H3
InChIKeyKTTMLPHBYNYCNF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.85
Rot. Bonds5

About 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine

2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine (PubChem CID 105163698) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
PubChem CID105163698
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cccc2ncccc12
InChIInChI=1S/C16H20N2/c1-4-10-18-16(12(2)3)14-7-5-9-15-13(14)8-6-11-17-15/h5-9,11,16,18H,2,4,10H2,1,3H3
InChIKeyKTTMLPHBYNYCNF-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 106858306
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
CID 105005378
2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177951
1-(3-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005563
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
(1R)-1-quinolin-5-ylethanol
CID 86326294
N-propyl-1-quinolin-5-ylhexan-3-amine
CID 81221861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine (CID 105163698) is 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine is C=C(C)C(NCCC)c1cccc2ncccc12.
What is the InChIKey of 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine?
The InChIKey is KTTMLPHBYNYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-10-18-16(12(2)3)14-7-5-9-15-13(14)8-6-11-17-15/h5-9,11,16,18H,2,4,10H2,1,3H3.
What are the key properties of 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine?
2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine is sourced from PubChem (CID 105163698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).