2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine

C15H20N2 — CID 116995264

IUPAC2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine
SMILESCNCC(c1nccc2ccccc12)C(C)C
InChIInChI=1S/C15H20N2/c1-11(2)14(10-16-3)15-13-7-5-4-6-12(13)8-9-17-15/h4-9,11,14,16H,10H2,1-3H3
InChIKeyZOMDBWAGKMSQLA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.19
Rot. Bonds4

About 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine

2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine (PubChem CID 116995264) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine
PubChem CID116995264
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine
SMILESCNCC(c1nccc2ccccc12)C(C)C
InChIInChI=1S/C15H20N2/c1-11(2)14(10-16-3)15-13-7-5-4-6-12(13)8-9-17-15/h4-9,11,14,16H,10H2,1-3H3
InChIKeyZOMDBWAGKMSQLA-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-1-ylmethanediol
CID 57261748
1-isoquinolin-1-yl-4-(methylamino)butane-1,2-diol
CID 171890434
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
CID 63948446
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
[(1S)-1-isoquinolin-1-yl-2-methylpropyl] benzoate
CID 6934612
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515594
1-(3,5-difluorophenyl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 63948041
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline
CID 155733442
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79824265

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine (CID 116995264) is 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine is CNCC(c1nccc2ccccc12)C(C)C.
What is the InChIKey of 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine?
The InChIKey is ZOMDBWAGKMSQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(2)14(10-16-3)15-13-7-5-4-6-12(13)8-9-17-15/h4-9,11,14,16H,10H2,1-3H3.
What are the key properties of 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine?
2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-1-yl-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116995264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).