N-(2-methylbutyl)isoquinolin-4-amine

C14H18N2 — CID 115888093

IUPACN-(2-methylbutyl)isoquinolin-4-amine
SMILESCCC(C)CNc1cncc2ccccc12
InChIInChI=1S/C14H18N2/c1-3-11(2)8-16-14-10-15-9-12-6-4-5-7-13(12)14/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeyQPRWPEWZAGNGHS-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.69
Rot. Bonds4

About N-(2-methylbutyl)isoquinolin-4-amine

N-(2-methylbutyl)isoquinolin-4-amine (PubChem CID 115888093) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-methylbutyl)isoquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)isoquinolin-4-amine
PubChem CID115888093
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(2-methylbutyl)isoquinolin-4-amine
SMILESCCC(C)CNc1cncc2ccccc12
InChIInChI=1S/C14H18N2/c1-3-11(2)8-16-14-10-15-9-12-6-4-5-7-13(12)14/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeyQPRWPEWZAGNGHS-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)isoquinolin-4-amine?
The IUPAC name of N-(2-methylbutyl)isoquinolin-4-amine (CID 115888093) is N-(2-methylbutyl)isoquinolin-4-amine.
What is the SMILES notation for N-(2-methylbutyl)isoquinolin-4-amine?
The canonical SMILES for N-(2-methylbutyl)isoquinolin-4-amine is CCC(C)CNc1cncc2ccccc12.
What is the InChIKey of N-(2-methylbutyl)isoquinolin-4-amine?
The InChIKey is QPRWPEWZAGNGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11(2)8-16-14-10-15-9-12-6-4-5-7-13(12)14/h4-7,9-11,16H,3,8H2,1-2H3.
What are the key properties of N-(2-methylbutyl)isoquinolin-4-amine?
N-(2-methylbutyl)isoquinolin-4-amine has a molecular weight of 214.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)isoquinolin-4-amine is sourced from PubChem (CID 115888093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).