8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride

C20H34ClN — CID 70690765

IUPAC8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESCCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2.[Cl-]
InChIInChI=1S/C20H34N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h16H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyHQOAMDQBIMHICX-UHFFFAOYSA-M
MW323.95 g/mol
LogP2.22
Rot. Bonds9

About 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride

8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride (PubChem CID 70690765) has the molecular formula C20H34ClN and a molecular weight of 323.95 g/mol. Its IUPAC name is 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride.

Molecular Properties

Compound Name8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
PubChem CID70690765
Molecular FormulaC20H34ClN
Molecular Weight323.95 g/mol
Exact Mass323.24
IUPAC Name8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride
SMILESCCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2.[Cl-]
InChIInChI=1S/C20H34N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h16H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKeyHQOAMDQBIMHICX-UHFFFAOYSA-M
XLogP2.22
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.95
LogP ≤ 52.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The IUPAC name of 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride (CID 70690765) is 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride.
What is the SMILES notation for 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The canonical SMILES for 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride is CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2.[Cl-].
What is the InChIKey of 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
The InChIKey is HQOAMDQBIMHICX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H34N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h16H,4-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride?
8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride has a molecular weight of 323.95 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-decyl-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium chloride is sourced from PubChem (CID 70690765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).