4-(2-methylpentan-2-yl)isoquinoline

C15H19N — CID 139319427

IUPAC4-(2-methylpentan-2-yl)isoquinoline
SMILESCCCC(C)(C)c1cncc2ccccc12
InChIInChI=1S/C15H19N/c1-4-9-15(2,3)14-11-16-10-12-7-5-6-8-13(12)14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyNVYCIWDVADZRRY-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.31
Rot. Bonds3

About 4-(2-methylpentan-2-yl)isoquinoline

4-(2-methylpentan-2-yl)isoquinoline (PubChem CID 139319427) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)isoquinoline
PubChem CID139319427
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-(2-methylpentan-2-yl)isoquinoline
SMILESCCCC(C)(C)c1cncc2ccccc12
InChIInChI=1S/C15H19N/c1-4-9-15(2,3)14-11-16-10-12-7-5-6-8-13(12)14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyNVYCIWDVADZRRY-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)isoquinoline?
The IUPAC name of 4-(2-methylpentan-2-yl)isoquinoline (CID 139319427) is 4-(2-methylpentan-2-yl)isoquinoline.
What is the SMILES notation for 4-(2-methylpentan-2-yl)isoquinoline?
The canonical SMILES for 4-(2-methylpentan-2-yl)isoquinoline is CCCC(C)(C)c1cncc2ccccc12.
What is the InChIKey of 4-(2-methylpentan-2-yl)isoquinoline?
The InChIKey is NVYCIWDVADZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-9-15(2,3)14-11-16-10-12-7-5-6-8-13(12)14/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 4-(2-methylpentan-2-yl)isoquinoline?
4-(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 4-(2-methylpentan-2-yl)isoquinoline is sourced from PubChem (CID 139319427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).