6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium

C30H54N+ — CID 56669616

IUPAC6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium
SMILESCCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2
InChIInChI=1S/C30H54N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1
InChIKeyCNZJTHNSMCRQFK-UHFFFAOYSA-N
MW428.77 g/mol
LogP8.90
Rot. Bonds18

About 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium

6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium (PubChem CID 56669616) has the molecular formula C30H54N+ and a molecular weight of 428.77 g/mol. Its IUPAC name is 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium.

Molecular Properties

Compound Name6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium
PubChem CID56669616
Molecular FormulaC30H54N+
Molecular Weight428.77 g/mol
Exact Mass428.43
IUPAC Name6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium
SMILESCCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2
InChIInChI=1S/C30H54N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1
InChIKeyCNZJTHNSMCRQFK-UHFFFAOYSA-N
XLogP8.90
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium with MolForge

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Related Compounds

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2,3,4-tris-decyl-5,6-dimethylpyridin-1-ium-1-carboxylic acid
CID 69480063
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CID 90895714
cyclopropane;octadecane
CID 174865519
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CID 15520754

Frequently Asked Questions

What is the IUPAC name of 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium?
The IUPAC name of 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium (CID 56669616) is 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium.
What is the SMILES notation for 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium?
The canonical SMILES for 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium is CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2.
What is the InChIKey of 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium?
The InChIKey is CNZJTHNSMCRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1.
What are the key properties of 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium?
6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium has a molecular weight of 428.77 g/mol, XLogP of 8.90, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-didecyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium is sourced from PubChem (CID 56669616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).