disodium;N,N-dimethyldodecan-1-amine oxide;carbonate

C15H31NNa2O4 — CID 160692899

IUPACdisodium;N,N-dimethyldodecan-1-amine oxide;carbonate
SMILESCCCCCCCCCCCC[N+](C)(C)[O-].O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C14H31NO.CH2O3.2Na/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16;2-1(3)4;;/h4-14H2,1-3H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeySUJYQBSRLCWTDX-UHFFFAOYSA-L
MW335.40 g/mol
LogP-3.96
Rot. Bonds11

About disodium;N,N-dimethyldodecan-1-amine oxide;carbonate

disodium;N,N-dimethyldodecan-1-amine oxide;carbonate (PubChem CID 160692899) has the molecular formula C15H31NNa2O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is disodium;N,N-dimethyldodecan-1-amine oxide;carbonate.

Molecular Properties

Compound Namedisodium;N,N-dimethyldodecan-1-amine oxide;carbonate
PubChem CID160692899
Molecular FormulaC15H31NNa2O4
Molecular Weight335.40 g/mol
Exact Mass335.20
IUPAC Namedisodium;N,N-dimethyldodecan-1-amine oxide;carbonate
SMILESCCCCCCCCCCCC[N+](C)(C)[O-].O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C14H31NO.CH2O3.2Na/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16;2-1(3)4;;/h4-14H2,1-3H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeySUJYQBSRLCWTDX-UHFFFAOYSA-L
XLogP-3.96
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 5-3.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyldecan-1-amine oxide;dihydrate
CID 22556484
bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
bis(trimethyl(tetradecyl)azanium);carbonate
CID 118467100
trimethyl(undecyl)azanium acetate
CID 174998472
propanoate;triheptyl(methyl)azanium
CID 139992270
bis(tetrabutylazanium);carbonate
CID 14746847
2-[dodecyl(dimethyl)azaniumyl]acetate
CID 172850444
sodium;dimethyl(dioctadecyl)azanium;octadecanoate;chloride
CID 175319979
dimethyl(dioctadecyl)azanium;dodecanoate
CID 20560140
butanoate;didecyl(dimethyl)azanium
CID 175270974
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913
8-[decyl(dimethyl)azaniumyl]octanoate
CID 175686111

Frequently Asked Questions

What is the IUPAC name of disodium;N,N-dimethyldodecan-1-amine oxide;carbonate?
The IUPAC name of disodium;N,N-dimethyldodecan-1-amine oxide;carbonate (CID 160692899) is disodium;N,N-dimethyldodecan-1-amine oxide;carbonate.
What is the SMILES notation for disodium;N,N-dimethyldodecan-1-amine oxide;carbonate?
The canonical SMILES for disodium;N,N-dimethyldodecan-1-amine oxide;carbonate is CCCCCCCCCCCC[N+](C)(C)[O-].O=C([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;N,N-dimethyldodecan-1-amine oxide;carbonate?
The InChIKey is SUJYQBSRLCWTDX-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H31NO.CH2O3.2Na/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16;2-1(3)4;;/h4-14H2,1-3H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of disodium;N,N-dimethyldodecan-1-amine oxide;carbonate?
disodium;N,N-dimethyldodecan-1-amine oxide;carbonate has a molecular weight of 335.40 g/mol, XLogP of -3.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N,N-dimethyldodecan-1-amine oxide;carbonate is sourced from PubChem (CID 160692899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).