N-(2-methylbutan-2-yl)isoquinolin-4-amine

C14H18N2 — CID 71046911

IUPACN-(2-methylbutan-2-yl)isoquinolin-4-amine
SMILESCCC(C)(C)Nc1cncc2ccccc12
InChIInChI=1S/C14H18N2/c1-4-14(2,3)16-13-10-15-9-11-7-5-6-8-12(11)13/h5-10,16H,4H2,1-3H3
InChIKeyXKWUAKVNMMXTJN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.84
Rot. Bonds3

About N-(2-methylbutan-2-yl)isoquinolin-4-amine

N-(2-methylbutan-2-yl)isoquinolin-4-amine (PubChem CID 71046911) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)isoquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)isoquinolin-4-amine
PubChem CID71046911
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(2-methylbutan-2-yl)isoquinolin-4-amine
SMILESCCC(C)(C)Nc1cncc2ccccc12
InChIInChI=1S/C14H18N2/c1-4-14(2,3)16-13-10-15-9-11-7-5-6-8-12(11)13/h5-10,16H,4H2,1-3H3
InChIKeyXKWUAKVNMMXTJN-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)isoquinolin-4-amine?
The IUPAC name of N-(2-methylbutan-2-yl)isoquinolin-4-amine (CID 71046911) is N-(2-methylbutan-2-yl)isoquinolin-4-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)isoquinolin-4-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)isoquinolin-4-amine is CCC(C)(C)Nc1cncc2ccccc12.
What is the InChIKey of N-(2-methylbutan-2-yl)isoquinolin-4-amine?
The InChIKey is XKWUAKVNMMXTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-14(2,3)16-13-10-15-9-11-7-5-6-8-12(11)13/h5-10,16H,4H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)isoquinolin-4-amine?
N-(2-methylbutan-2-yl)isoquinolin-4-amine has a molecular weight of 214.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)isoquinolin-4-amine is sourced from PubChem (CID 71046911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).