1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine

C17H22N2 — CID 65415186

IUPAC1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCNC(c1cccc2cnccc12)C1CCC(C)C1
InChIInChI=1S/C17H22N2/c1-12-6-7-13(10-12)17(18-2)16-5-3-4-14-11-19-9-8-15(14)16/h3-5,8-9,11-13,17-18H,6-7,10H2,1-2H3
InChIKeyYUSXTTZYYWPUFL-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.93
Rot. Bonds3

About 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine

1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine (PubChem CID 65415186) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
PubChem CID65415186
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCNC(c1cccc2cnccc12)C1CCC(C)C1
InChIInChI=1S/C17H22N2/c1-12-6-7-13(10-12)17(18-2)16-5-3-4-14-11-19-9-8-15(14)16/h3-5,8-9,11-13,17-18H,6-7,10H2,1-2H3
InChIKeyYUSXTTZYYWPUFL-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine (CID 65415186) is 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine is CNC(c1cccc2cnccc12)C1CCC(C)C1.
What is the InChIKey of 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine?
The InChIKey is YUSXTTZYYWPUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-7-13(10-12)17(18-2)16-5-3-4-14-11-19-9-8-15(14)16/h3-5,8-9,11-13,17-18H,6-7,10H2,1-2H3.
What are the key properties of 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine?
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 65415186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).