1-isoquinolin-5-yl-4-methylcyclohexan-1-amine

C16H20N2 — CID 55119185

IUPAC1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cccc3cnccc23)CC1
InChIInChI=1S/C16H20N2/c1-12-5-8-16(17,9-6-12)15-4-2-3-13-11-18-10-7-14(13)15/h2-4,7,10-12H,5-6,8-9,17H2,1H3
InChIKeyHFZSZOZUZHCIRM-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.60
Rot. Bonds1

About 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine

1-isoquinolin-5-yl-4-methylcyclohexan-1-amine (PubChem CID 55119185) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
PubChem CID55119185
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cccc3cnccc23)CC1
InChIInChI=1S/C16H20N2/c1-12-5-8-16(17,9-6-12)15-4-2-3-13-11-18-10-7-14(13)15/h2-4,7,10-12H,5-6,8-9,17H2,1H3
InChIKeyHFZSZOZUZHCIRM-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine (CID 55119185) is 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine is CC1CCC(N)(c2cccc3cnccc23)CC1.
What is the InChIKey of 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine?
The InChIKey is HFZSZOZUZHCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-5-8-16(17,9-6-12)15-4-2-3-13-11-18-10-7-14(13)15/h2-4,7,10-12H,5-6,8-9,17H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine?
1-isoquinolin-5-yl-4-methylcyclohexan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55119185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).