6-(2-methylbutan-2-yl)isoquinolin-3-amine

C14H18N2 — CID 71022196

IUPAC6-(2-methylbutan-2-yl)isoquinolin-3-amine
SMILESCCC(C)(C)c1ccc2cnc(N)cc2c1
InChIInChI=1S/C14H18N2/c1-4-14(2,3)12-6-5-10-9-16-13(15)8-11(10)7-12/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyLAMBIQXRBJOZHL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.50
Rot. Bonds2

About 6-(2-methylbutan-2-yl)isoquinolin-3-amine

6-(2-methylbutan-2-yl)isoquinolin-3-amine (PubChem CID 71022196) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)isoquinolin-3-amine
PubChem CID71022196
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name6-(2-methylbutan-2-yl)isoquinolin-3-amine
SMILESCCC(C)(C)c1ccc2cnc(N)cc2c1
InChIInChI=1S/C14H18N2/c1-4-14(2,3)12-6-5-10-9-16-13(15)8-11(10)7-12/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyLAMBIQXRBJOZHL-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)isoquinolin-3-amine?
The IUPAC name of 6-(2-methylbutan-2-yl)isoquinolin-3-amine (CID 71022196) is 6-(2-methylbutan-2-yl)isoquinolin-3-amine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)isoquinolin-3-amine?
The canonical SMILES for 6-(2-methylbutan-2-yl)isoquinolin-3-amine is CCC(C)(C)c1ccc2cnc(N)cc2c1.
What is the InChIKey of 6-(2-methylbutan-2-yl)isoquinolin-3-amine?
The InChIKey is LAMBIQXRBJOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-14(2,3)12-6-5-10-9-16-13(15)8-11(10)7-12/h5-9H,4H2,1-3H3,(H2,15,16).
What are the key properties of 6-(2-methylbutan-2-yl)isoquinolin-3-amine?
6-(2-methylbutan-2-yl)isoquinolin-3-amine has a molecular weight of 214.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)isoquinolin-3-amine is sourced from PubChem (CID 71022196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).