N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine

C16H20N2 — CID 105163061

IUPACN-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cccc2cccnc12
InChIInChI=1S/C16H20N2/c1-4-17-15(11-12(2)3)14-9-5-7-13-8-6-10-18-16(13)14/h5-10,15,17H,2,4,11H2,1,3H3
InChIKeyRPJXCTNFXGADAE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.85
Rot. Bonds5

About N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine

N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine (PubChem CID 105163061) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
PubChem CID105163061
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cccc2cccnc12
InChIInChI=1S/C16H20N2/c1-4-17-15(11-12(2)3)14-9-5-7-13-8-6-10-18-16(13)14/h5-10,15,17H,2,4,11H2,1,3H3
InChIKeyRPJXCTNFXGADAE-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'}

Analyze N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
CID 79178919
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 79178920
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105163057
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229913
N-(2-methoxy-1-quinolin-8-ylethyl)propan-1-amine
CID 81231808
N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81231091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine (CID 105163061) is N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine is C=C(C)CC(NCC)c1cccc2cccnc12.
What is the InChIKey of N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine?
The InChIKey is RPJXCTNFXGADAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-17-15(11-12(2)3)14-9-5-7-13-8-6-10-18-16(13)14/h5-10,15,17H,2,4,11H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine?
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-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 N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine is sourced from PubChem (CID 105163061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).