henicos-20-enyl(dimethyl)azanium chloride

C23H48ClN — CID 141237785

IUPAChenicos-20-enyl(dimethyl)azanium chloride
SMILESC=CCCCCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C23H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h4H,1,5-23H2,2-3H3;1H
InChIKeySJNIQEJCTQMWPD-UHFFFAOYSA-N
MW374.10 g/mol
LogP3.34
Rot. Bonds20

About henicos-20-enyl(dimethyl)azanium chloride

henicos-20-enyl(dimethyl)azanium chloride (PubChem CID 141237785) has the molecular formula C23H48ClN and a molecular weight of 374.10 g/mol. Its IUPAC name is henicos-20-enyl(dimethyl)azanium chloride.

Molecular Properties

Compound Namehenicos-20-enyl(dimethyl)azanium chloride
PubChem CID141237785
Molecular FormulaC23H48ClN
Molecular Weight374.10 g/mol
Exact Mass373.35
IUPAC Namehenicos-20-enyl(dimethyl)azanium chloride
SMILESC=CCCCCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C23H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h4H,1,5-23H2,2-3H3;1H
InChIKeySJNIQEJCTQMWPD-UHFFFAOYSA-N
XLogP3.34
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
CID 176548864
zinc;ethane;undec-1-ene
CID 173301253
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
bis(dodec-11-enyl)-dimethylsilane
CID 171781898
zinc;non-1-ene;propane
CID 173301341

Frequently Asked Questions

What is the IUPAC name of henicos-20-enyl(dimethyl)azanium chloride?
The IUPAC name of henicos-20-enyl(dimethyl)azanium chloride (CID 141237785) is henicos-20-enyl(dimethyl)azanium chloride.
What is the SMILES notation for henicos-20-enyl(dimethyl)azanium chloride?
The canonical SMILES for henicos-20-enyl(dimethyl)azanium chloride is C=CCCCCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-].
What is the InChIKey of henicos-20-enyl(dimethyl)azanium chloride?
The InChIKey is SJNIQEJCTQMWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h4H,1,5-23H2,2-3H3;1H.
What are the key properties of henicos-20-enyl(dimethyl)azanium chloride?
henicos-20-enyl(dimethyl)azanium chloride has a molecular weight of 374.10 g/mol, XLogP of 3.34, 20 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-20-enyl(dimethyl)azanium chloride is sourced from PubChem (CID 141237785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).