[dimethylamino-(dioctylamino)methylidene]-dimethylazanium

C21H46N3+ — CID 13127883

IUPAC[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
SMILESCCCCCCCCN(CCCCCCCC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C21H46N3/c1-7-9-11-13-15-17-19-24(21(22(3)4)23(5)6)20-18-16-14-12-10-8-2/h7-20H2,1-6H3/q+1
InChIKeyGTABFMRTJFWNDV-UHFFFAOYSA-N
MW340.62 g/mol
LogP5.20
Rot. Bonds14

About [dimethylamino-(dioctylamino)methylidene]-dimethylazanium

[dimethylamino-(dioctylamino)methylidene]-dimethylazanium (PubChem CID 13127883) has the molecular formula C21H46N3+ and a molecular weight of 340.62 g/mol. Its IUPAC name is [dimethylamino-(dioctylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
PubChem CID13127883
Molecular FormulaC21H46N3+
Molecular Weight340.62 g/mol
Exact Mass340.37
IUPAC Name[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
SMILESCCCCCCCCN(CCCCCCCC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C21H46N3/c1-7-9-11-13-15-17-19-24(21(22(3)4)23(5)6)20-18-16-14-12-10-8-2/h7-20H2,1-6H3/q+1
InChIKeyGTABFMRTJFWNDV-UHFFFAOYSA-N
XLogP5.20
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[[bis(5-hydroxypentyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 102233310
bis(dihexylamino)methylidene-dimethylazanium;bis(trifluoromethanesulfonamide)
CID 158005110
1,1-dimethyl-3,3-dioctylurea
CID 139841323
N-methyl-N-nonadecylhydroxylamine
CID 87390757
N,N,N',N'-tetrahexyloxamide
CID 6424911
1-(dioctylcarbamoyl)-1-methyl-3,3-dioctylurea
CID 142318742
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094
N,N-di(pentadecyl)acetamide
CID 174726671
CID 22164562
CID 22164562
bis(dibutylamino)methylidene-[6-[bis(dibutylamino)methylidene-butylazaniumyl]hexyl]-butylazanium
CID 11073029

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(dioctylamino)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-(dioctylamino)methylidene]-dimethylazanium (CID 13127883) is [dimethylamino-(dioctylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-(dioctylamino)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-(dioctylamino)methylidene]-dimethylazanium is CCCCCCCCN(CCCCCCCC)C(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-(dioctylamino)methylidene]-dimethylazanium?
The InChIKey is GTABFMRTJFWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N3/c1-7-9-11-13-15-17-19-24(21(22(3)4)23(5)6)20-18-16-14-12-10-8-2/h7-20H2,1-6H3/q+1.
What are the key properties of [dimethylamino-(dioctylamino)methylidene]-dimethylazanium?
[dimethylamino-(dioctylamino)methylidene]-dimethylazanium has a molecular weight of 340.62 g/mol, XLogP of 5.20, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(dioctylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 13127883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).