(6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine

C16H29N — CID 91721002

IUPAC(6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine
SMILESCCCCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C16H29N/c1-4-5-7-13(2)10-15-11-14(3)16-8-6-9-17(16)12-15/h10,13-14,16H,4-9,11-12H2,1-3H3/b15-10-
InChIKeyYNGBOEUCIOIIQX-GDNBJRDFSA-N
MW235.41 g/mol
LogP4.24
Rot. Bonds4

About (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine

(6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine (PubChem CID 91721002) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine
PubChem CID91721002
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine
SMILESCCCCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C16H29N/c1-4-5-7-13(2)10-15-11-14(3)16-8-6-9-17(16)12-15/h10,13-14,16H,4-9,11-12H2,1-3H3/b15-10-
InChIKeyYNGBOEUCIOIIQX-GDNBJRDFSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine with MolForge

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Related Compounds

Gephyrotoxin 207a
CID 586750
(5R,8R,8aS)-5-(Hept-6-en-1-yl)-8-methyloctahydroindolizine
CID 586751
(1R,8R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 134827995
(5R,8R,8aS)-5-[(Z)-hept-4-enyl]-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10998976
(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11745831
(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
(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
(5R,8S,8aS)-5-hexyl-8-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 44604078
anti-11-Aza-11-methyltricyclo[4.3.1.12,5]undec-7-ene
CID 49852256
1-(2,7-Dimethyl-2,7-octa-dienyl)-2,5-diisopropenylpiperidine
CID 85907075
8-(3-Butenyl)octahydro-5-(2-penten-4-ynyl)indolizine
CID 129687049

Frequently Asked Questions

What is the IUPAC name of (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine (CID 91721002) is (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine is CCCCC(C)/C=C1/CC(C)C2CCCN2C1.
What is the InChIKey of (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is YNGBOEUCIOIIQX-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H29N/c1-4-5-7-13(2)10-15-11-14(3)16-8-6-9-17(16)12-15/h10,13-14,16H,4-9,11-12H2,1-3H3/b15-10-.
What are the key properties of (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
(6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 235.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-methyl-6-(2-methylhexylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 91721002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).