2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine

C11H21N — CID 59036114

IUPAC2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)C1CC2CCCCN2C1
InChIInChI=1S/C11H21N/c1-9(2)10-7-11-5-3-4-6-12(11)8-10/h9-11H,3-8H2,1-2H3
InChIKeyJMVPAEPUTFPKRC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds1

About 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine

2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 59036114) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID59036114
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)C1CC2CCCCN2C1
InChIInChI=1S/C11H21N/c1-9(2)10-7-11-5-3-4-6-12(11)8-10/h9-11H,3-8H2,1-2H3
InChIKeyJMVPAEPUTFPKRC-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)propan-1-amine
CID 83906713
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 58450035
1-(3-propan-2-ylcyclohexyl)piperidin-3-amine
CID 107449487
1-cyclohexyl-5-propan-2-ylpiperidin-3-amine
CID 83989284
1-cyclodecyl-5-propan-2-ylpiperidine-3-carboxamide
CID 137413174
fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine
CID 176776273
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
1-cyclobutyl-5-propan-2-ylpiperidin-3-amine
CID 83989291

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 59036114) is 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC(C)C1CC2CCCCN2C1.
What is the InChIKey of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is JMVPAEPUTFPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)10-7-11-5-3-4-6-12(11)8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 167.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 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 is sourced from PubChem (CID 59036114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).