[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine

C15H18N2 — CID 117325791

IUPAC[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
SMILESCc1cc2ccc(C3(CN)CCC3)cc2cn1
InChIInChI=1S/C15H18N2/c1-11-7-12-3-4-14(8-13(12)9-17-11)15(10-16)5-2-6-15/h3-4,7-9H,2,5-6,10,16H2,1H3
InChIKeyXURIVKSORFLYOP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.92
Rot. Bonds2

About [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine

[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine (PubChem CID 117325791) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
PubChem CID117325791
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
SMILESCc1cc2ccc(C3(CN)CCC3)cc2cn1
InChIInChI=1S/C15H18N2/c1-11-7-12-3-4-14(8-13(12)9-17-11)15(10-16)5-2-6-15/h3-4,7-9H,2,5-6,10,16H2,1H3
InChIKeyXURIVKSORFLYOP-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine (CID 117325791) is [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine is Cc1cc2ccc(C3(CN)CCC3)cc2cn1.
What is the InChIKey of [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine?
The InChIKey is XURIVKSORFLYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-12-3-4-14(8-13(12)9-17-11)15(10-16)5-2-6-15/h3-4,7-9H,2,5-6,10,16H2,1H3.
What are the key properties of [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine?
[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117325791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).