ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C11H23N — CID 142534546

IUPACethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC.CC1CCN2CCCC2C1
InChIInChI=1S/C9H17N.C2H6/c1-8-4-6-10-5-2-3-9(10)7-8;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyNKXDXLOQLZCOOA-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds

About ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 142534546) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Nameethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID142534546
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC.CC1CCN2CCCC2C1
InChIInChI=1S/C9H17N.C2H6/c1-8-4-6-10-5-2-3-9(10)7-8;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyNKXDXLOQLZCOOA-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine 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

ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79619483
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
1,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;ethane
CID 143770617
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 142534546) is ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC.CC1CCN2CCCC2C1.
What is the InChIKey of ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is NKXDXLOQLZCOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-8-4-6-10-5-2-3-9(10)7-8;1-2/h8-9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 142534546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).