1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H24N2 — CID 176569728

IUPAC1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC1C=C(C2CCN3CCCCC23)CNC1
InChIInChI=1S/C14H24N2/c1-11-8-12(10-15-9-11)13-5-7-16-6-3-2-4-14(13)16/h8,11,13-15H,2-7,9-10H2,1H3
InChIKeyXXJPJYKZTCYNRW-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 176569728) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID176569728
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC1C=C(C2CCN3CCCCC23)CNC1
InChIInChI=1S/C14H24N2/c1-11-8-12(10-15-9-11)13-5-7-16-6-3-2-4-14(13)16/h8,11,13-15H,2-7,9-10H2,1H3
InChIKeyXXJPJYKZTCYNRW-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(2aR,3S,5S,5aR,8aR)-3,5,7-Trimethyl-2,2a,3,4,5,5a,6,8a-octahydro-1H-pyrrolo[2,1,5-de]quinolizine
CID 72775341
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 123495117
(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine
CID 146035529
(1R,4R,8R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11183344
(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11264207
6,8-Diethyl-5-propenylindolizidine
CID 129866353
5,6,7,8,12,13-Hexahydro-1,4-dimethylcarbazole
CID 129881843
(1R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 134847975
(3R,5R,6S,8S,8aR)-3-[(1E)-hepta-1,6-dienyl]-6,8-dimethyl-5-(2-methylprop-2-enyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 134951821
(8R,8aS,Z)-8-Methyl-6-((R)-2-methylhexylidene)octahydroindolizine
CID 91721002
(8R,Z)-8-Methyl-6-((R)-2-methylpentylidene)octahydroindolizine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 176569728) is 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is CC1C=C(C2CCN3CCCCC23)CNC1.
What is the InChIKey of 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is XXJPJYKZTCYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-8-12(10-15-9-11)13-5-7-16-6-3-2-4-14(13)16/h8,11,13-15H,2-7,9-10H2,1H3.
What are the key properties of 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 220.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 176569728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).