7-methylisoquinolin-1-amine;propane

C13H18N2 — CID 142933220

IUPAC7-methylisoquinolin-1-amine;propane
SMILESCCC.Cc1ccc2ccnc(N)c2c1
InChIInChI=1S/C10H10N2.C3H8/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-3-2/h2-6H,1H3,(H2,11,12);3H2,1-2H3
InChIKeyCQONMWAZEVGPCT-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.54
Rot. Bonds

About 7-methylisoquinolin-1-amine;propane

7-methylisoquinolin-1-amine;propane (PubChem CID 142933220) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-methylisoquinolin-1-amine;propane.

Molecular Properties

Compound Name7-methylisoquinolin-1-amine;propane
PubChem CID142933220
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-methylisoquinolin-1-amine;propane
SMILESCCC.Cc1ccc2ccnc(N)c2c1
InChIInChI=1S/C10H10N2.C3H8/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-3-2/h2-6H,1H3,(H2,11,12);3H2,1-2H3
InChIKeyCQONMWAZEVGPCT-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylisoquinolin-1-amine;propane?
The IUPAC name of 7-methylisoquinolin-1-amine;propane (CID 142933220) is 7-methylisoquinolin-1-amine;propane.
What is the SMILES notation for 7-methylisoquinolin-1-amine;propane?
The canonical SMILES for 7-methylisoquinolin-1-amine;propane is CCC.Cc1ccc2ccnc(N)c2c1.
What is the InChIKey of 7-methylisoquinolin-1-amine;propane?
The InChIKey is CQONMWAZEVGPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C3H8/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-3-2/h2-6H,1H3,(H2,11,12);3H2,1-2H3.
What are the key properties of 7-methylisoquinolin-1-amine;propane?
7-methylisoquinolin-1-amine;propane has a molecular weight of 202.30 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylisoquinolin-1-amine;propane is sourced from PubChem (CID 142933220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).