dimethyl-octadecyl-prop-1-enylazanium chloride

C23H48ClN — CID 141266493

IUPACdimethyl-octadecyl-prop-1-enylazanium chloride
SMILESCC=C[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C23H48N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;/h6,22H,5,7-21,23H2,1-4H3;1H/q+1;/p-1
InChIKeySPNCXDPJCKRVQE-UHFFFAOYSA-M
MW374.10 g/mol
LogP4.86
Rot. Bonds18

About dimethyl-octadecyl-prop-1-enylazanium chloride

dimethyl-octadecyl-prop-1-enylazanium chloride (PubChem CID 141266493) has the molecular formula C23H48ClN and a molecular weight of 374.10 g/mol. Its IUPAC name is dimethyl-octadecyl-prop-1-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-octadecyl-prop-1-enylazanium chloride
PubChem CID141266493
Molecular FormulaC23H48ClN
Molecular Weight374.10 g/mol
Exact Mass373.35
IUPAC Namedimethyl-octadecyl-prop-1-enylazanium chloride
SMILESCC=C[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C23H48N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;/h6,22H,5,7-21,23H2,1-4H3;1H/q+1;/p-1
InChIKeySPNCXDPJCKRVQE-UHFFFAOYSA-M
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 54.86
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_2', 'substructure': 'N/A'}

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Related Compounds

methyl-prop-1-enyl-di(tetradecyl)azanium
CID 172679866
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
hexyl-icosyl-dimethylazanium chloride
CID 141083999
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
decyl-hexyl-dimethylazanium chloride
CID 19369138
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
trimethyl(octyl)azanium chloride
CID 24949
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-prop-1-enylazanium chloride?
The IUPAC name of dimethyl-octadecyl-prop-1-enylazanium chloride (CID 141266493) is dimethyl-octadecyl-prop-1-enylazanium chloride.
What is the SMILES notation for dimethyl-octadecyl-prop-1-enylazanium chloride?
The canonical SMILES for dimethyl-octadecyl-prop-1-enylazanium chloride is CC=C[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-].
What is the InChIKey of dimethyl-octadecyl-prop-1-enylazanium chloride?
The InChIKey is SPNCXDPJCKRVQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H48N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2;/h6,22H,5,7-21,23H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octadecyl-prop-1-enylazanium chloride?
dimethyl-octadecyl-prop-1-enylazanium chloride has a molecular weight of 374.10 g/mol, XLogP of 4.86, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-prop-1-enylazanium chloride is sourced from PubChem (CID 141266493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).