2-isoquinolin-8-yl-N-methylcycloheptan-1-amine

C17H22N2 — CID 103139261

IUPAC2-isoquinolin-8-yl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c1-18-17-9-4-2-3-7-15(17)14-8-5-6-13-10-11-19-12-16(13)14/h5-6,8,10-12,15,17-18H,2-4,7,9H2,1H3
InChIKeyXMFKEDXWTIUIRV-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.87
Rot. Bonds2

About 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine

2-isoquinolin-8-yl-N-methylcycloheptan-1-amine (PubChem CID 103139261) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-8-yl-N-methylcycloheptan-1-amine
PubChem CID103139261
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-isoquinolin-8-yl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c1-18-17-9-4-2-3-7-15(17)14-8-5-6-13-10-11-19-12-16(13)14/h5-6,8,10-12,15,17-18H,2-4,7,9H2,1H3
InChIKeyXMFKEDXWTIUIRV-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine 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 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine?
The IUPAC name of 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine (CID 103139261) is 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1cccc2ccncc12.
What is the InChIKey of 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine?
The InChIKey is XMFKEDXWTIUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-18-17-9-4-2-3-7-15(17)14-8-5-6-13-10-11-19-12-16(13)14/h5-6,8,10-12,15,17-18H,2-4,7,9H2,1H3.
What are the key properties of 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine?
2-isoquinolin-8-yl-N-methylcycloheptan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-yl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 103139261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).