3-isoquinolin-8-yl-N-methylcyclohexan-1-amine

C16H20N2 — CID 103140750

IUPAC3-isoquinolin-8-yl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(c2cccc3ccncc23)C1
InChIInChI=1S/C16H20N2/c1-17-14-6-2-5-13(10-14)15-7-3-4-12-8-9-18-11-16(12)15/h3-4,7-9,11,13-14,17H,2,5-6,10H2,1H3
InChIKeyKHISRHRKHZUDJN-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.48
Rot. Bonds2

About 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine

3-isoquinolin-8-yl-N-methylcyclohexan-1-amine (PubChem CID 103140750) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-8-yl-N-methylcyclohexan-1-amine
PubChem CID103140750
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-isoquinolin-8-yl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(c2cccc3ccncc23)C1
InChIInChI=1S/C16H20N2/c1-17-14-6-2-5-13(10-14)15-7-3-4-12-8-9-18-11-16(12)15/h3-4,7-9,11,13-14,17H,2,5-6,10H2,1H3
InChIKeyKHISRHRKHZUDJN-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine?
The IUPAC name of 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine (CID 103140750) is 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine is CNC1CCCC(c2cccc3ccncc23)C1.
What is the InChIKey of 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine?
The InChIKey is KHISRHRKHZUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17-14-6-2-5-13(10-14)15-7-3-4-12-8-9-18-11-16(12)15/h3-4,7-9,11,13-14,17H,2,5-6,10H2,1H3.
What are the key properties of 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine?
3-isoquinolin-8-yl-N-methylcyclohexan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-8-yl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103140750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).