2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine

C10H20N2 — CID 142426452

IUPAC2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine
SMILESCN1CC2CCCCC2CC1N
InChIInChI=1S/C10H20N2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11/h8-10H,2-7,11H2,1H3
InChIKeyXHQMAMJISOMRLK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.41
Rot. Bonds

About 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine

2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine (PubChem CID 142426452) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine
PubChem CID142426452
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine
SMILESCN1CC2CCCCC2CC1N
InChIInChI=1S/C10H20N2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11/h8-10H,2-7,11H2,1H3
InChIKeyXHQMAMJISOMRLK-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-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-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine?
The IUPAC name of 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine (CID 142426452) is 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine.
What is the SMILES notation for 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine?
The canonical SMILES for 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine is CN1CC2CCCCC2CC1N.
What is the InChIKey of 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine?
The InChIKey is XHQMAMJISOMRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11/h8-10H,2-7,11H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine?
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-amine is sourced from PubChem (CID 142426452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).