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

C15H27N — CID 91721008

IUPAC(6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine
SMILESCCCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C15H27N/c1-4-6-12(2)9-14-10-13(3)15-7-5-8-16(15)11-14/h9,12-13,15H,4-8,10-11H2,1-3H3/b14-9-
InChIKeyOZAROULQGKOSBQ-ZROIWOOFSA-N
MW221.39 g/mol
LogP3.85
Rot. Bonds3

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

(6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine (PubChem CID 91721008) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine
PubChem CID91721008
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine
SMILESCCCC(C)/C=C1/CC(C)C2CCCN2C1
InChIInChI=1S/C15H27N/c1-4-6-12(2)9-14-10-13(3)15-7-5-8-16(15)11-14/h9,12-13,15H,4-8,10-11H2,1-3H3/b14-9-
InChIKeyOZAROULQGKOSBQ-ZROIWOOFSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.85
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-methylpentylidene)-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
2H-Indeno(2,1-b)indolizine, 1,3,4,5a,10,10a,11,11a-octahydro-
CID 3062570
(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
3-methyl-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizine
CID 11182699
(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

Frequently Asked Questions

What is the IUPAC name of (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine (CID 91721008) is (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine is CCCC(C)/C=C1/CC(C)C2CCCN2C1.
What is the InChIKey of (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is OZAROULQGKOSBQ-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-12(2)9-14-10-13(3)15-7-5-8-16(15)11-14/h9,12-13,15H,4-8,10-11H2,1-3H3/b14-9-.
What are the key properties of (6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine?
(6Z)-8-methyl-6-(2-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 221.39 g/mol, XLogP of 3.85, 3 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-methylpentylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 91721008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).