(5,8-dimethylisoquinolin-1-yl)methanamine

C12H14N2 — CID 82405735

IUPAC(5,8-dimethylisoquinolin-1-yl)methanamine
SMILESCc1ccc(C)c2c(CN)nccc12
InChIInChI=1S/C12H14N2/c1-8-3-4-9(2)12-10(8)5-6-14-11(12)7-13/h3-6H,7,13H2,1-2H3
InChIKeyNJFQIJCFEQQMRL-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.31
Rot. Bonds1

About (5,8-dimethylisoquinolin-1-yl)methanamine

(5,8-dimethylisoquinolin-1-yl)methanamine (PubChem CID 82405735) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (5,8-dimethylisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(5,8-dimethylisoquinolin-1-yl)methanamine
PubChem CID82405735
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(5,8-dimethylisoquinolin-1-yl)methanamine
SMILESCc1ccc(C)c2c(CN)nccc12
InChIInChI=1S/C12H14N2/c1-8-3-4-9(2)12-10(8)5-6-14-11(12)7-13/h3-6H,7,13H2,1-2H3
InChIKeyNJFQIJCFEQQMRL-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,8-dimethylisoquinolin-1-yl)methanamine?
The IUPAC name of (5,8-dimethylisoquinolin-1-yl)methanamine (CID 82405735) is (5,8-dimethylisoquinolin-1-yl)methanamine.
What is the SMILES notation for (5,8-dimethylisoquinolin-1-yl)methanamine?
The canonical SMILES for (5,8-dimethylisoquinolin-1-yl)methanamine is Cc1ccc(C)c2c(CN)nccc12.
What is the InChIKey of (5,8-dimethylisoquinolin-1-yl)methanamine?
The InChIKey is NJFQIJCFEQQMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-3-4-9(2)12-10(8)5-6-14-11(12)7-13/h3-6H,7,13H2,1-2H3.
What are the key properties of (5,8-dimethylisoquinolin-1-yl)methanamine?
(5,8-dimethylisoquinolin-1-yl)methanamine has a molecular weight of 186.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dimethylisoquinolin-1-yl)methanamine is sourced from PubChem (CID 82405735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).