2-isoquinolin-8-yl-4-methylcyclohexan-1-amine

C16H20N2 — CID 103132421

IUPAC2-isoquinolin-8-yl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2cccc3ccncc23)C1
InChIInChI=1S/C16H20N2/c1-11-5-6-16(17)14(9-11)13-4-2-3-12-7-8-18-10-15(12)13/h2-4,7-8,10-11,14,16H,5-6,9,17H2,1H3
InChIKeySTYVBHVNYIOTSM-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.47
Rot. Bonds1

About 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine

2-isoquinolin-8-yl-4-methylcyclohexan-1-amine (PubChem CID 103132421) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-8-yl-4-methylcyclohexan-1-amine
PubChem CID103132421
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-isoquinolin-8-yl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2cccc3ccncc23)C1
InChIInChI=1S/C16H20N2/c1-11-5-6-16(17)14(9-11)13-4-2-3-12-7-8-18-10-15(12)13/h2-4,7-8,10-11,14,16H,5-6,9,17H2,1H3
InChIKeySTYVBHVNYIOTSM-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine (CID 103132421) is 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine is CC1CCC(N)C(c2cccc3ccncc23)C1.
What is the InChIKey of 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine?
The InChIKey is STYVBHVNYIOTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-5-6-16(17)14(9-11)13-4-2-3-12-7-8-18-10-15(12)13/h2-4,7-8,10-11,14,16H,5-6,9,17H2,1H3.
What are the key properties of 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine?
2-isoquinolin-8-yl-4-methylcyclohexan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-8-yl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103132421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).