1,6,7-trimethyl-2H-isoquinolin-1-amine

C12H16N2 — CID 89151723

IUPAC1,6,7-trimethyl-2H-isoquinolin-1-amine
SMILESCc1cc2c(cc1C)C(C)(N)NC=C2
InChIInChI=1S/C12H16N2/c1-8-6-10-4-5-14-12(3,13)11(10)7-9(8)2/h4-7,14H,13H2,1-3H3
InChIKeyOFRGCHISFQJIKS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.01
Rot. Bonds

About 1,6,7-trimethyl-2H-isoquinolin-1-amine

1,6,7-trimethyl-2H-isoquinolin-1-amine (PubChem CID 89151723) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,6,7-trimethyl-2H-isoquinolin-1-amine.

Molecular Properties

Compound Name1,6,7-trimethyl-2H-isoquinolin-1-amine
PubChem CID89151723
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,6,7-trimethyl-2H-isoquinolin-1-amine
SMILESCc1cc2c(cc1C)C(C)(N)NC=C2
InChIInChI=1S/C12H16N2/c1-8-6-10-4-5-14-12(3,13)11(10)7-9(8)2/h4-7,14H,13H2,1-3H3
InChIKeyOFRGCHISFQJIKS-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-2H-isoquinolin-1-amine?
The IUPAC name of 1,6,7-trimethyl-2H-isoquinolin-1-amine (CID 89151723) is 1,6,7-trimethyl-2H-isoquinolin-1-amine.
What is the SMILES notation for 1,6,7-trimethyl-2H-isoquinolin-1-amine?
The canonical SMILES for 1,6,7-trimethyl-2H-isoquinolin-1-amine is Cc1cc2c(cc1C)C(C)(N)NC=C2.
What is the InChIKey of 1,6,7-trimethyl-2H-isoquinolin-1-amine?
The InChIKey is OFRGCHISFQJIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-6-10-4-5-14-12(3,13)11(10)7-9(8)2/h4-7,14H,13H2,1-3H3.
What are the key properties of 1,6,7-trimethyl-2H-isoquinolin-1-amine?
1,6,7-trimethyl-2H-isoquinolin-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethyl-2H-isoquinolin-1-amine is sourced from PubChem (CID 89151723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).