2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C55H105N5 — CID 158090951

IUPAC2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)C1CC2CCCCN2C1.CC(C)C1CCC2CCCCN21.CC(C)C1CCC2CCCN21.CC(C)C1CCCC2CCCCN21.CC(C)C1CCCC2CCCN21
InChIInChI=1S/C12H23N.3C11H21N.C10H19N/c1-10(2)12-8-5-7-11-6-3-4-9-13(11)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-5-3-4-8-12(10)11;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h10-12H,3-9H2,1-2H3;3*9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyFOBZNEISJUMRRX-UHFFFAOYSA-N
MW836.48 g/mol
LogP13.15
Rot. Bonds5

About 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 158090951) has the molecular formula C55H105N5 and a molecular weight of 836.48 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID158090951
Molecular FormulaC55H105N5
Molecular Weight836.48 g/mol
Exact Mass835.84
IUPAC Name2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)C1CC2CCCCN2C1.CC(C)C1CCC2CCCCN21.CC(C)C1CCC2CCCN21.CC(C)C1CCCC2CCCCN21.CC(C)C1CCCC2CCCN21
InChIInChI=1S/C12H23N.3C11H21N.C10H19N/c1-10(2)12-8-5-7-11-6-3-4-9-13(11)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-5-3-4-8-12(10)11;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h10-12H,3-9H2,1-2H3;3*9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyFOBZNEISJUMRRX-UHFFFAOYSA-N
XLogP13.15
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.48
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine 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

(3aS,6aR)-3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;5-(3-methylbutyl)-2-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2-(3-methylbutyl)-6-propan-2-yl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 157542620
methane;2-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine;8-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine;2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;2-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine;7-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine;2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 157869910
Carbanide;6,7,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;7,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,10-trimethyl-5-azoniaspiro[4.5]decane;6,9,10-trimethyl-5-azoniaspiro[4.5]decane;7,8,9-trimethyl-5-azoniaspiro[4.5]decane;7,8,10-trimethyl-5-azoniaspiro[4.5]decane
CID 158202630
2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 158888597
methane;8-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine;2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;2-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine;2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 159328532
2,3-Dimethanidylpiperidine;3,4-dimethanidylpiperidine;2,3-dimethanidylpyrrolidine;3,4-dimethanidylpyrrolidine;ethane;2-ethyl-3-methanidylpiperidine;3-ethyl-2-methanidylpiperidine;3-ethyl-4-methanidylpiperidine;4-ethyl-3-methanidylpiperidine;2-ethyl-3-methanidylpyrrolidine;3-ethyl-2-methanidylpyrrolidine;3-ethyl-4-methanidylpyrrolidine;2-ethylpiperidin-3-ide;3-ethylpiperidin-2-ide;3-ethylpiperidin-4-ide;4-ethylpiperidin-5-ide;2-ethylpyrrolidin-3-ide;3-ethylpyrrolidin-2-ide;2-propylpiperidin-3-ide;3-propylpiperidin-2-ide;3-propylpiperidin-4-ide;4-propylpiperidin-5-ide;2-propylpyrrolidin-3-ide;3-propylpyrrolidin-2-ide;3-propylpyrrolidin-4-ide;(yttrium)
CID 159519655
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159641961
bis(1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine);bis(1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine);bis(2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine);2,6-dimethyl-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-dimethyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 160311602
8-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine;2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;2-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine;2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 160317752
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(9aR)-2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;(9aS)-2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;ethane;pentakis(2-methylpropane);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 160436065
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-tert-butyl-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;5-tert-butyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160644485
Carbanide;6,10-dimethyl-5-azoniaspiro[4.5]decane;7,9-dimethyl-5-azoniaspiro[4.5]decane;7,10-dimethyl-5-azoniaspiro[4.5]decane;8,9-dimethyl-5-azoniaspiro[4.5]decane;8,10-dimethyl-5-azoniaspiro[4.5]decane;7,9,10-trimethyl-5-azoniaspiro[4.5]decane;8,9,10-trimethyl-5-azoniaspiro[4.5]decane
CID 160983175

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 158090951) is 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC(C)C1CC2CCCCN2C1.CC(C)C1CCC2CCCCN21.CC(C)C1CCC2CCCN21.CC(C)C1CCCC2CCCCN21.CC(C)C1CCCC2CCCN21.
What is the InChIKey of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is FOBZNEISJUMRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.3C11H21N.C10H19N/c1-10(2)12-8-5-7-11-6-3-4-9-13(11)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-5-3-4-8-12(10)11;1-9(2)10-7-11-5-3-4-6-12(11)8-10;1-8(2)10-6-5-9-4-3-7-11(9)10/h10-12H,3-9H2,1-2H3;3*9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 836.48 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;3-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;5-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine;4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;3-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 158090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).