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

C10H20N2 — CID 142426553

IUPAC2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine
SMILESCN1CCC2CCCCC2C1N
InChIInChI=1S/C10H20N2/c1-12-7-6-8-4-2-3-5-9(8)10(12)11/h8-10H,2-7,11H2,1H3
InChIKeyBVPQUWPIRAEEER-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.41
Rot. Bonds

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

2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine (PubChem CID 142426553) 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-1-amine.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine
PubChem CID142426553
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine
SMILESCN1CCC2CCCCC2C1N
InChIInChI=1S/C10H20N2/c1-12-7-6-8-4-2-3-5-9(8)10(12)11/h8-10H,2-7,11H2,1H3
InChIKeyBVPQUWPIRAEEER-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-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

Related Compounds

(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
CID 142426255
(2R)-4-cyclobutyl-1,2-dimethylpiperidine
CID 171414314
4-cyclohexyl-1-methylpyrrolidin-3-amine
CID 82407513
2-cyclohexylcycloheptan-1-amine
CID 62603079
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
CID 56997162
3-cyclopropyl-1,2-dimethylpyrrolidine
CID 178104321
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine?
The IUPAC name of 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine (CID 142426553) is 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine.
What is the SMILES notation for 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine?
The canonical SMILES for 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine is CN1CCC2CCCCC2C1N.
What is the InChIKey of 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine?
The InChIKey is BVPQUWPIRAEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12-7-6-8-4-2-3-5-9(8)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-1-amine?
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-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-1-amine is sourced from PubChem (CID 142426553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).