3-(2-methylpentan-2-yl)isoquinoline

C15H19N — CID 134524688

IUPAC3-(2-methylpentan-2-yl)isoquinoline
SMILESCCCC(C)(C)c1cc2ccccc2cn1
InChIInChI=1S/C15H19N/c1-4-9-15(2,3)14-10-12-7-5-6-8-13(12)11-16-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCPCXEWJFSYATRB-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.31
Rot. Bonds3

About 3-(2-methylpentan-2-yl)isoquinoline

3-(2-methylpentan-2-yl)isoquinoline (PubChem CID 134524688) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-methylpentan-2-yl)isoquinoline.

Molecular Properties

Compound Name3-(2-methylpentan-2-yl)isoquinoline
PubChem CID134524688
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-(2-methylpentan-2-yl)isoquinoline
SMILESCCCC(C)(C)c1cc2ccccc2cn1
InChIInChI=1S/C15H19N/c1-4-9-15(2,3)14-10-12-7-5-6-8-13(12)11-16-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCPCXEWJFSYATRB-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-methylpentan-2-yl)isoquinoline 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

3-tert-butylisoquinoline;2,2-dimethylpropane;ethane;pyridine
CID 159668510
4-(2-methylpentan-2-yl)isoquinoline
CID 139319427
CID 174116934
CID 174116934
2-chloro-4-(2-methylpentan-2-yl)pyrimidine
CID 167262653
N,N-dimethyl-5-(2-methylpentan-2-yl)pyridin-2-amine
CID 139394487
2-(2-methylpentan-2-yl)-6-propan-2-ylpyridine
CID 129015517
benzene;3-pentylisoquinoline
CID 175224692
2-methyl-6-(2-methylpentan-2-yl)pyrazine
CID 155261785
3-tert-butyl-6-(2-naphthalen-2-ylpropyl)isoquinoline
CID 167048597
(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86293694
N-ethyl-N-methyl-6-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 134483265
3-(2-chloropropan-2-yloxy)isoquinoline
CID 174769213

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-2-yl)isoquinoline?
The IUPAC name of 3-(2-methylpentan-2-yl)isoquinoline (CID 134524688) is 3-(2-methylpentan-2-yl)isoquinoline.
What is the SMILES notation for 3-(2-methylpentan-2-yl)isoquinoline?
The canonical SMILES for 3-(2-methylpentan-2-yl)isoquinoline is CCCC(C)(C)c1cc2ccccc2cn1.
What is the InChIKey of 3-(2-methylpentan-2-yl)isoquinoline?
The InChIKey is CPCXEWJFSYATRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-9-15(2,3)14-10-12-7-5-6-8-13(12)11-16-14/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 3-(2-methylpentan-2-yl)isoquinoline?
3-(2-methylpentan-2-yl)isoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-2-yl)isoquinoline is sourced from PubChem (CID 134524688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).