1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine

C16H22N2 — CID 63940368

IUPAC1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cncc2ccccc12
InChIInChI=1S/C16H22N2/c1-16(2,3)9-15(17-4)14-11-18-10-12-7-5-6-8-13(12)14/h5-8,10-11,15,17H,9H2,1-4H3
InChIKeyXUJNGUKTJXJEDX-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.93
Rot. Bonds3

About 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine

1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine (PubChem CID 63940368) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
PubChem CID63940368
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cncc2ccccc12
InChIInChI=1S/C16H22N2/c1-16(2,3)9-15(17-4)14-11-18-10-12-7-5-6-8-13(12)14/h5-8,10-11,15,17H,9H2,1-4H3
InChIKeyXUJNGUKTJXJEDX-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-isoquinolin-4-yl-N-methylethanamine
CID 65133000
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
CID 63939404
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
2-(3-chlorophenyl)-1-isoquinolin-4-yl-N-methylethanamine
CID 63940548
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
CID 105213889
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115856332
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
CID 79197515

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine (CID 63940368) is 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine?
The InChIKey is XUJNGUKTJXJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)9-15(17-4)14-11-18-10-12-7-5-6-8-13(12)14/h5-8,10-11,15,17H,9H2,1-4H3.
What are the key properties of 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine?
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 63940368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).