1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine

C18H25BrN2 — CID 82909949

IUPAC1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1nc2ccccc2cc1Br
InChIInChI=1S/C18H25BrN2/c1-4-13(5-2)11-17(20-6-3)18-15(19)12-14-9-7-8-10-16(14)21-18/h7-10,12-13,17,20H,4-6,11H2,1-3H3
InChIKeyIQZJXMUZJYIIDA-UHFFFAOYSA-N
MW349.32 g/mol
LogP5.47
Rot. Bonds7

About 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine

1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine (PubChem CID 82909949) has the molecular formula C18H25BrN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
PubChem CID82909949
Molecular FormulaC18H25BrN2
Molecular Weight349.32 g/mol
Exact Mass348.12
IUPAC Name1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1nc2ccccc2cc1Br
InChIInChI=1S/C18H25BrN2/c1-4-13(5-2)11-17(20-6-3)18-15(19)12-14-9-7-8-10-16(14)21-18/h7-10,12-13,17,20H,4-6,11H2,1-3H3
InChIKeyIQZJXMUZJYIIDA-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.32
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-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

[1-(3-bromoquinolin-2-yl)-3-ethylpentyl]hydrazine
CID 105257345
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 114856703
1-(3-bromoquinolin-2-yl)heptylhydrazine
CID 105257321
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
CID 114013472
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
[1-(3-bromoquinolin-2-yl)-2-methylpropyl]hydrazine
CID 105257290
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
[1-(3-bromoquinolin-2-yl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105257250
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769
[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105257346

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine?
The IUPAC name of 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine (CID 82909949) is 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine.
What is the SMILES notation for 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine?
The canonical SMILES for 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine is CCNC(CC(CC)CC)c1nc2ccccc2cc1Br.
What is the InChIKey of 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine?
The InChIKey is IQZJXMUZJYIIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2/c1-4-13(5-2)11-17(20-6-3)18-15(19)12-14-9-7-8-10-16(14)21-18/h7-10,12-13,17,20H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine?
1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine has a molecular weight of 349.32 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine is sourced from PubChem (CID 82909949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).