N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine

C17H22N2 — CID 79829205

IUPACN-(2,2-dimethylcyclohexyl)isoquinolin-5-amine
SMILESCC1(C)CCCCC1Nc1cccc2cnccc12
InChIInChI=1S/C17H22N2/c1-17(2)10-4-3-8-16(17)19-15-7-5-6-13-12-18-11-9-14(13)15/h5-7,9,11-12,16,19H,3-4,8,10H2,1-2H3
InChIKeyXYHAWCREMYSYRH-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.62
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine

N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine (PubChem CID 79829205) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)isoquinolin-5-amine
PubChem CID79829205
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(2,2-dimethylcyclohexyl)isoquinolin-5-amine
SMILESCC1(C)CCCCC1Nc1cccc2cnccc12
InChIInChI=1S/C17H22N2/c1-17(2)10-4-3-8-16(17)19-15-7-5-6-13-12-18-11-9-14(13)15/h5-7,9,11-12,16,19H,3-4,8,10H2,1-2H3
InChIKeyXYHAWCREMYSYRH-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylcyclohexyl)isoquinolin-5-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 N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine (CID 79829205) is N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine is CC1(C)CCCCC1Nc1cccc2cnccc12.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine?
The InChIKey is XYHAWCREMYSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2)10-4-3-8-16(17)19-15-7-5-6-13-12-18-11-9-14(13)15/h5-7,9,11-12,16,19H,3-4,8,10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine?
N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine has a molecular weight of 254.38 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine is sourced from PubChem (CID 79829205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).