3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine

C13H23N — CID 177053600

IUPAC3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESC=C1CCCC2CC(C(C)C)C(C)N12
InChIInChI=1S/C13H23N/c1-9(2)13-8-12-7-5-6-10(3)14(12)11(13)4/h9,11-13H,3,5-8H2,1-2,4H3
InChIKeyHKHBQKRYQBXLNA-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.42
Rot. Bonds1

About 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine

3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine (PubChem CID 177053600) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine
PubChem CID177053600
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESC=C1CCCC2CC(C(C)C)C(C)N12
InChIInChI=1S/C13H23N/c1-9(2)13-8-12-7-5-6-10(3)14(12)11(13)4/h9,11-13H,3,5-8H2,1-2,4H3
InChIKeyHKHBQKRYQBXLNA-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-methyl-1-(3-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960355
ethane;1-methylidene-2-propan-2-ylcyclopentane
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CID 102299473
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
3-cyclobutyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83254569
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
CID 134195528
(1S,2S,4aR,8aR)-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol
CID 91748550
trans-(1R,3R)-5-[2-[(3aR,7aR)-1-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 123575093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine (CID 177053600) is 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine is C=C1CCCC2CC(C(C)C)C(C)N12.
What is the InChIKey of 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is HKHBQKRYQBXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)13-8-12-7-5-6-10(3)14(12)11(13)4/h9,11-13H,3,5-8H2,1-2,4H3.
What are the key properties of 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 193.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-2-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 177053600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).