2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine

C19H26N2 — CID 64765898

IUPAC2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2cncc3ccccc23)C(N)C1
InChIInChI=1S/C19H26N2/c1-13-8-9-16(18(20)10-13)19(2,3)17-12-21-11-14-6-4-5-7-15(14)17/h4-7,11-13,16,18H,8-10,20H2,1-3H3
InChIKeyXHEGUWYQCHEJDR-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.28
Rot. Bonds2

About 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine

2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine (PubChem CID 64765898) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine
PubChem CID64765898
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2cncc3ccccc23)C(N)C1
InChIInChI=1S/C19H26N2/c1-13-8-9-16(18(20)10-13)19(2,3)17-12-21-11-14-6-4-5-7-15(14)17/h4-7,11-13,16,18H,8-10,20H2,1-3H3
InChIKeyXHEGUWYQCHEJDR-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-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-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine (CID 64765898) is 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine is CC1CCC(C(C)(C)c2cncc3ccccc23)C(N)C1.
What is the InChIKey of 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine?
The InChIKey is XHEGUWYQCHEJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13-8-9-16(18(20)10-13)19(2,3)17-12-21-11-14-6-4-5-7-15(14)17/h4-7,11-13,16,18H,8-10,20H2,1-3H3.
What are the key properties of 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine?
2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).