N-methyl-1-propan-2-yloxyisoquinolin-6-amine

C13H16N2O — CID 82572571

IUPACN-methyl-1-propan-2-yloxyisoquinolin-6-amine
SMILESCNc1ccc2c(OC(C)C)nccc2c1
InChIInChI=1S/C13H16N2O/c1-9(2)16-13-12-5-4-11(14-3)8-10(12)6-7-15-13/h4-9,14H,1-3H3
InChIKeyZSAZCCZUJVXXJY-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-1-propan-2-yloxyisoquinolin-6-amine

N-methyl-1-propan-2-yloxyisoquinolin-6-amine (PubChem CID 82572571) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxyisoquinolin-6-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxyisoquinolin-6-amine
PubChem CID82572571
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-methyl-1-propan-2-yloxyisoquinolin-6-amine
SMILESCNc1ccc2c(OC(C)C)nccc2c1
InChIInChI=1S/C13H16N2O/c1-9(2)16-13-12-5-4-11(14-3)8-10(12)6-7-15-13/h4-9,14H,1-3H3
InChIKeyZSAZCCZUJVXXJY-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yloxyisoquinolin-6-amine?
The IUPAC name of N-methyl-1-propan-2-yloxyisoquinolin-6-amine (CID 82572571) is N-methyl-1-propan-2-yloxyisoquinolin-6-amine.
What is the SMILES notation for N-methyl-1-propan-2-yloxyisoquinolin-6-amine?
The canonical SMILES for N-methyl-1-propan-2-yloxyisoquinolin-6-amine is CNc1ccc2c(OC(C)C)nccc2c1.
What is the InChIKey of N-methyl-1-propan-2-yloxyisoquinolin-6-amine?
The InChIKey is ZSAZCCZUJVXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)16-13-12-5-4-11(14-3)8-10(12)6-7-15-13/h4-9,14H,1-3H3.
What are the key properties of N-methyl-1-propan-2-yloxyisoquinolin-6-amine?
N-methyl-1-propan-2-yloxyisoquinolin-6-amine has a molecular weight of 216.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxyisoquinolin-6-amine is sourced from PubChem (CID 82572571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).