2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium

C10H20N+ — CID 154339362

IUPAC2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
SMILESC[NH+]1CCC2CCCCC2C1
InChIInChI=1S/C10H19N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h9-10H,2-8H2,1H3/p+1
InChIKeyMMCXKYPKYQMCRM-UHFFFAOYSA-O
MW154.28 g/mol
LogP0.71
Rot. Bonds

About 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium

2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium (PubChem CID 154339362) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium.

Molecular Properties

Compound Name2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
PubChem CID154339362
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
SMILESC[NH+]1CCC2CCCCC2C1
InChIInChI=1S/C10H19N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h9-10H,2-8H2,1H3/p+1
InChIKeyMMCXKYPKYQMCRM-UHFFFAOYSA-O
XLogP0.71
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium 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

(4aS,6R,8aR)-6-bromo-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 7164444
(3R)-1-methyl-3-[(2S)-pyrrolidin-1-ium-2-yl]piperidin-1-ium
CID 7047980
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclopentylcyclopentane;phosphane
CID 174792657
cyclohexylcycloheptane
CID 524589
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
CID 175877016
CID 175877016
cyclononylcycloicosane
CID 123187062
[(3R)-1-methylpiperidin-1-ium-3-yl]azanium
CID 7446916
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium?
The IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium (CID 154339362) is 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium.
What is the SMILES notation for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium?
The canonical SMILES for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium is C[NH+]1CCC2CCCCC2C1.
What is the InChIKey of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium?
The InChIKey is MMCXKYPKYQMCRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h9-10H,2-8H2,1H3/p+1.
What are the key properties of 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium?
2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium has a molecular weight of 154.28 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium is sourced from PubChem (CID 154339362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).