dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride

C24H48ClN — CID 176548864

IUPACdimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
SMILESC=CCC(CC=C)CCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C24H47N.ClH/c1-5-20-24(21-6-2)22-18-16-14-12-10-8-7-9-11-13-15-17-19-23-25(3)4;/h5-6,24H,1-2,7-23H2,3-4H3;1H
InChIKeyYDTZEBSUOAMDKQ-UHFFFAOYSA-N
MW386.11 g/mol
LogP3.36
Rot. Bonds20

About dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride

dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride (PubChem CID 176548864) has the molecular formula C24H48ClN and a molecular weight of 386.11 g/mol. Its IUPAC name is dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
PubChem CID176548864
Molecular FormulaC24H48ClN
Molecular Weight386.11 g/mol
Exact Mass385.35
IUPAC Namedimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
SMILESC=CCC(CC=C)CCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C24H47N.ClH/c1-5-20-24(21-6-2)22-18-16-14-12-10-8-7-9-11-13-15-17-19-23-25(3)4;/h5-6,24H,1-2,7-23H2,3-4H3;1H
InChIKeyYDTZEBSUOAMDKQ-UHFFFAOYSA-N
XLogP3.36
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 53.36
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

4-prop-2-enylpentadec-1-ene
CID 54427529
henicos-20-enyl(dimethyl)azanium chloride
CID 141237785
17-prop-2-enyltetratriacontane
CID 173452630
6-(dimethylazaniumyl)hexyl-dimethylazanium dibromide
CID 87519961
4-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
CID 173358524
7-prop-2-enyldodec-4-ene
CID 173342323
4-ethylhexyl(dimethyl)azanium
CID 171800943
dodecyl(dimethyl)azanium;pentacosan-13-ylazanium;dichloride
CID 142632996
(4S)-4-ethyloct-1-ene
CID 129373406
icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
CID 20744672
2-prop-2-enylhexane-1,6-diamine
CID 89126683

Frequently Asked Questions

What is the IUPAC name of dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride?
The IUPAC name of dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride (CID 176548864) is dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride.
What is the SMILES notation for dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride?
The canonical SMILES for dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride is C=CCC(CC=C)CCCCCCCCCCCCCCC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride?
The InChIKey is YDTZEBSUOAMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N.ClH/c1-5-20-24(21-6-2)22-18-16-14-12-10-8-7-9-11-13-15-17-19-23-25(3)4;/h5-6,24H,1-2,7-23H2,3-4H3;1H.
What are the key properties of dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride?
dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride has a molecular weight of 386.11 g/mol, XLogP of 3.36, 20 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride is sourced from PubChem (CID 176548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).