ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium

C7H17N2+ — CID 123459831

IUPACethyl-[[ethyl(methyl)amino]methylidene]-methylazanium
SMILESCCN(C)/C=[N+](\C)CC
InChIInChI=1S/C7H17N2/c1-5-8(3)7-9(4)6-2/h7H,5-6H2,1-4H3/q+1
InChIKeyBAOOHKQIOLSXMM-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.63
Rot. Bonds3

About ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium

ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium (PubChem CID 123459831) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium.

Molecular Properties

Compound Nameethyl-[[ethyl(methyl)amino]methylidene]-methylazanium
PubChem CID123459831
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Nameethyl-[[ethyl(methyl)amino]methylidene]-methylazanium
SMILESCCN(C)/C=[N+](\C)CC
InChIInChI=1S/C7H17N2/c1-5-8(3)7-9(4)6-2/h7H,5-6H2,1-4H3/q+1
InChIKeyBAOOHKQIOLSXMM-UHFFFAOYSA-N
XLogP0.63
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

N'-(Dimethylaminoethyl)-N,N-dimethylformamidine
CID 58281
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1,3-Dimethyl-4,5-dihydroimidazol-1-ium
CID 20238538
1,1-Dimethyl-4,5-dihydroimidazol-1-ium
CID 21977283
Diethylaminomethylidene(diethyl)azanium chloride
CID 87214741
N,N'-dimethyl-N-(2-methylpropyl)methanimidamide
CID 91262184
N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide
CID 174151577
N,N-Dimethyl-N'-butyl-formamidine
CID 259105
3,3-Dimethyl-1-propylformamidine
CID 523864
Formamidine, 1-isobutyl-3,3-dimethyl
CID 523868
Methanimidamide, N'-(cyanomethyl)-N,N-dimethyl-
CID 6432065
2-Ethyl-1,1,3,3-tetramethylguanidine
CID 6432070

Frequently Asked Questions

What is the IUPAC name of ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium?
The IUPAC name of ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium (CID 123459831) is ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium.
What is the SMILES notation for ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium?
The canonical SMILES for ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium is CCN(C)/C=[N+](\C)CC.
What is the InChIKey of ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium?
The InChIKey is BAOOHKQIOLSXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-5-8(3)7-9(4)6-2/h7H,5-6H2,1-4H3/q+1.
What are the key properties of ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium?
ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium has a molecular weight of 129.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[ethyl(methyl)amino]methylidene]-methylazanium is sourced from PubChem (CID 123459831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).