3-methyl-6-(2-methylpropyl)isoquinolin-1-amine

C14H18N2 — CID 118508678

IUPAC3-methyl-6-(2-methylpropyl)isoquinolin-1-amine
SMILESCc1cc2cc(CC(C)C)ccc2c(N)n1
InChIInChI=1S/C14H18N2/c1-9(2)6-11-4-5-13-12(8-11)7-10(3)16-14(13)15/h4-5,7-9H,6H2,1-3H3,(H2,15,16)
InChIKeyYYHLBSRDHBNOKN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.32
Rot. Bonds2

About 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine

3-methyl-6-(2-methylpropyl)isoquinolin-1-amine (PubChem CID 118508678) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name3-methyl-6-(2-methylpropyl)isoquinolin-1-amine
PubChem CID118508678
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-6-(2-methylpropyl)isoquinolin-1-amine
SMILESCc1cc2cc(CC(C)C)ccc2c(N)n1
InChIInChI=1S/C14H18N2/c1-9(2)6-11-4-5-13-12(8-11)7-10(3)16-14(13)15/h4-5,7-9H,6H2,1-3H3,(H2,15,16)
InChIKeyYYHLBSRDHBNOKN-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine?
The IUPAC name of 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine (CID 118508678) is 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine.
What is the SMILES notation for 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine?
The canonical SMILES for 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine is Cc1cc2cc(CC(C)C)ccc2c(N)n1.
What is the InChIKey of 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine?
The InChIKey is YYHLBSRDHBNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9(2)6-11-4-5-13-12(8-11)7-10(3)16-14(13)15/h4-5,7-9H,6H2,1-3H3,(H2,15,16).
What are the key properties of 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine?
3-methyl-6-(2-methylpropyl)isoquinolin-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylpropyl)isoquinolin-1-amine is sourced from PubChem (CID 118508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).