1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine

C15H20N2 — CID 63940367

IUPAC1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1cncc2ccccc12
InChIInChI=1S/C15H20N2/c1-15(2,3)8-14(16)13-10-17-9-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8,16H2,1-3H3
InChIKeyZTYMVZLYLYIWQB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.67
Rot. Bonds2

About 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine

1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine (PubChem CID 63940367) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
PubChem CID63940367
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1cncc2ccccc12
InChIInChI=1S/C15H20N2/c1-15(2,3)8-14(16)13-10-17-9-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8,16H2,1-3H3
InChIKeyZTYMVZLYLYIWQB-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-4-ylethanamine
CID 66143984
1-isoquinolin-4-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63940953
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
3-(2,2-difluoroethoxy)-1-isoquinolin-4-ylpropan-1-amine
CID 103149098

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine (CID 63940367) is 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine is CC(C)(C)CC(N)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine?
The InChIKey is ZTYMVZLYLYIWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2,3)8-14(16)13-10-17-9-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8,16H2,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine?
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 63940367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).