ethyl-dimethyl-tetradecanoylazanium chloride

C18H38ClNO — CID 142704587

IUPACethyl-dimethyl-tetradecanoylazanium chloride
SMILESCCCCCCCCCCCCCC(=O)[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C18H38NO.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18(20)19(3,4)6-2;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyOOOFOJKSBAEGGW-UHFFFAOYSA-M
MW319.96 g/mol
LogP2.31
Rot. Bonds13

About ethyl-dimethyl-tetradecanoylazanium chloride

ethyl-dimethyl-tetradecanoylazanium chloride (PubChem CID 142704587) has the molecular formula C18H38ClNO and a molecular weight of 319.96 g/mol. Its IUPAC name is ethyl-dimethyl-tetradecanoylazanium chloride.

Molecular Properties

Compound Nameethyl-dimethyl-tetradecanoylazanium chloride
PubChem CID142704587
Molecular FormulaC18H38ClNO
Molecular Weight319.96 g/mol
Exact Mass319.26
IUPAC Nameethyl-dimethyl-tetradecanoylazanium chloride
SMILESCCCCCCCCCCCCCC(=O)[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C18H38NO.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18(20)19(3,4)6-2;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyOOOFOJKSBAEGGW-UHFFFAOYSA-M
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.96
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethyl-dimethyl-octadecanoylazanium;sulfuric acid
CID 174382530
di(dodecanoyl)-dimethylazanium
CID 46207720
2-hydroxyethyl-dimethyl-octadecanoylazanium
CID 21145645
ethyl-tri(octanoyl)azanium
CID 88828447
azane;hexadecanoyl(tripropyl)azanium;chloride;dihydrochloride
CID 175548166
ethyl-di(hexadecanoyl)-methylazanium;sulfuric acid
CID 175238516
dimethyl-[(Z)-octadec-9-enoyl]-[(Z)-2-oxononadec-10-enyl]azanium;propane;chloride
CID 170160595
[(Z)-docos-13-enoyl]-dimethyl-prop-2-enylazanium chloride
CID 174902926
dimethyl-octadecanoyl-(3-sulfopropyl)azanium
CID 101150998
dimethyl-octadecanoyl-(oxiran-2-ylmethyl)azanium
CID 172728138
benzyl-dimethyl-tetradecanoylazanium
CID 88833628
benzyl-dimethyl-undecanoylazanium
CID 88833769

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-tetradecanoylazanium chloride?
The IUPAC name of ethyl-dimethyl-tetradecanoylazanium chloride (CID 142704587) is ethyl-dimethyl-tetradecanoylazanium chloride.
What is the SMILES notation for ethyl-dimethyl-tetradecanoylazanium chloride?
The canonical SMILES for ethyl-dimethyl-tetradecanoylazanium chloride is CCCCCCCCCCCCCC(=O)[N+](C)(C)CC.[Cl-].
What is the InChIKey of ethyl-dimethyl-tetradecanoylazanium chloride?
The InChIKey is OOOFOJKSBAEGGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H38NO.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18(20)19(3,4)6-2;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of ethyl-dimethyl-tetradecanoylazanium chloride?
ethyl-dimethyl-tetradecanoylazanium chloride has a molecular weight of 319.96 g/mol, XLogP of 2.31, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-tetradecanoylazanium chloride is sourced from PubChem (CID 142704587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).