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

C16H22N2 — CID 64506068

IUPAC1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1cncc2ccccc12
InChIInChI=1S/C16H22N2/c1-16(2,3)15(17)9-8-13-11-18-10-12-6-4-5-7-14(12)13/h4-7,10-11,15H,8-9,17H2,1-3H3
InChIKeyFYSCBUVKUTYMFE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.54
Rot. Bonds3

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

1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine (PubChem CID 64506068) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine
PubChem CID64506068
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1cncc2ccccc12
InChIInChI=1S/C16H22N2/c1-16(2,3)15(17)9-8-13-11-18-10-12-6-4-5-7-14(12)13/h4-7,10-11,15H,8-9,17H2,1-3H3
InChIKeyFYSCBUVKUTYMFE-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-isoquinolin-4-yl-4,4-dimethylpentan-3-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

4-(3-bromohexyl)isoquinoline
CID 64509411
3-isoquinolin-4-yl-1-phenylpropan-1-ol
CID 64513744
4-(3-chloro-3-cyclopropylpropyl)isoquinoline
CID 64507989
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
isoquinolin-4-ylmethanethiol
CID 104505444
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021
4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
2-isoquinolin-4-ylethanesulfonyl chloride
CID 84805050
2-[4-(3-isoquinolin-4-ylpropyl)piperazin-1-yl]-2-methylpropanamide
CID 125421894
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine (CID 64506068) is 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)CCc1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine?
The InChIKey is FYSCBUVKUTYMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)15(17)9-8-13-11-18-10-12-6-4-5-7-14(12)13/h4-7,10-11,15H,8-9,17H2,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine?
1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine has a molecular weight of 242.37 g/mol, XLogP of 3.54, 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-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 64506068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).