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

C13H29N — CID 167500332

IUPACethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC.CC.CC1CCCC2CCCN12
InChIInChI=1S/C9H17N.2C2H6/c1-8-4-2-5-9-6-3-7-10(8)9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyMKMYPRWKFNTXGJ-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.08
Rot. Bonds

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

ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 167500332) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Nameethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID167500332
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC.CC.CC1CCCC2CCCN12
InChIInChI=1S/C9H17N.2C2H6/c1-8-4-2-5-9-6-3-7-10(8)9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3
InChIKeyMKMYPRWKFNTXGJ-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
ethane;5-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
CID 176948108
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
CID 59401779
1-cyclopentyl-2-methyl-1,5-diazocane
CID 117014693
1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
CID 166650515
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966
(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
CID 67423613
2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130644992
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 167500332) is ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC.CC.CC1CCCC2CCCN12.
What is the InChIKey of ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is MKMYPRWKFNTXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.2C2H6/c1-8-4-2-5-9-6-3-7-10(8)9;2*1-2/h8-9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 199.38 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 167500332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).