5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine

C11H21N — CID 123301947

IUPAC5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESCC1CC2CCCN2C(C)(C)C1
InChIInChI=1S/C11H21N/c1-9-7-10-5-4-6-12(10)11(2,3)8-9/h9-10H,4-8H2,1-3H3
InChIKeyMMBNQOXMXZFTGR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

About 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine

5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine (PubChem CID 123301947) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
PubChem CID123301947
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESCC1CC2CCCN2C(C)(C)C1
InChIInChI=1S/C11H21N/c1-9-7-10-5-4-6-12(10)11(2,3)8-9/h9-10H,4-8H2,1-3H3
InChIKeyMMBNQOXMXZFTGR-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
CID 123513445
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
N-methyl-1-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 62534250
[(7R,8aR)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl] acetate;(7S,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-2-ylium-7-ol;5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-ol
CID 159943552
1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587
2-chloro-4-[(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]pyrimidine-5-carbonitrile
CID 86704469
2,2-dimethyl-1-(thian-3-yl)pyrrolidine
CID 130666702
(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
CID 130291365
[3,5-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
CID 79941063
amino-[2-chloro-4-[(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]pyrimidin-5-yl]methanol
CID 123355577
1-cyclobutyl-2,2-dimethylpiperazine
CID 59454526
4-cyclobutyl-7-methyl-4-azaspiro[2.5]octane
CID 168902465

Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine (CID 123301947) is 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine is CC1CC2CCCN2C(C)(C)C1.
What is the InChIKey of 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is MMBNQOXMXZFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-7-10-5-4-6-12(10)11(2,3)8-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 123301947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).