5-butyl-N,N-dimethylisoquinolin-1-amine

C15H20N2 — CID 122392842

IUPAC5-butyl-N,N-dimethylisoquinolin-1-amine
SMILESCCCCc1cccc2c(N(C)C)nccc12
InChIInChI=1S/C15H20N2/c1-4-5-7-12-8-6-9-14-13(12)10-11-16-15(14)17(2)3/h6,8-11H,4-5,7H2,1-3H3
InChIKeyBAVRODCGQBFXQU-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.64
Rot. Bonds4

About 5-butyl-N,N-dimethylisoquinolin-1-amine

5-butyl-N,N-dimethylisoquinolin-1-amine (PubChem CID 122392842) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-butyl-N,N-dimethylisoquinolin-1-amine.

Molecular Properties

Compound Name5-butyl-N,N-dimethylisoquinolin-1-amine
PubChem CID122392842
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-butyl-N,N-dimethylisoquinolin-1-amine
SMILESCCCCc1cccc2c(N(C)C)nccc12
InChIInChI=1S/C15H20N2/c1-4-5-7-12-8-6-9-14-13(12)10-11-16-15(14)17(2)3/h6,8-11H,4-5,7H2,1-3H3
InChIKeyBAVRODCGQBFXQU-UHFFFAOYSA-N
XLogP3.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butyl-N,N-dimethylisoquinolin-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

N,5-diethyl-N-methylisoquinolin-1-amine
CID 176668009
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
4-butyl-1,8-naphthyridine
CID 20689310
N,N-dimethylisoquinolin-1-amine
CID 10313317
1-butylnaphthalene;ethane
CID 142087052
4,9-didodecylpicene
CID 58426566
4,9-dihexylpicene
CID 58426524
azane;1-butylnaphthalene;methane
CID 174691035
4-tridecylquinolin-8-ol
CID 102274119
1-tetradecylnaphthalene
CID 14402128
2-(1-hexylisoquinolin-5-yl)acetonitrile
CID 20533917
10-butylbenzo[f]quinoline
CID 15873192

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N-dimethylisoquinolin-1-amine?
The IUPAC name of 5-butyl-N,N-dimethylisoquinolin-1-amine (CID 122392842) is 5-butyl-N,N-dimethylisoquinolin-1-amine.
What is the SMILES notation for 5-butyl-N,N-dimethylisoquinolin-1-amine?
The canonical SMILES for 5-butyl-N,N-dimethylisoquinolin-1-amine is CCCCc1cccc2c(N(C)C)nccc12.
What is the InChIKey of 5-butyl-N,N-dimethylisoquinolin-1-amine?
The InChIKey is BAVRODCGQBFXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-5-7-12-8-6-9-14-13(12)10-11-16-15(14)17(2)3/h6,8-11H,4-5,7H2,1-3H3.
What are the key properties of 5-butyl-N,N-dimethylisoquinolin-1-amine?
5-butyl-N,N-dimethylisoquinolin-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N-dimethylisoquinolin-1-amine is sourced from PubChem (CID 122392842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).