[3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium

C10H22N3+ — CID 123420821

IUPAC[3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
SMILESCCN(C)C(=CN(C)C)C=[N+](C)C
InChIInChI=1S/C10H22N3/c1-7-13(6)10(8-11(2)3)9-12(4)5/h8-9H,7H2,1-6H3/q+1
InChIKeyNVDRECVGBMJBPC-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.68
Rot. Bonds4

About [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium

[3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium (PubChem CID 123420821) has the molecular formula C10H22N3+ and a molecular weight of 184.31 g/mol. Its IUPAC name is [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
PubChem CID123420821
Molecular FormulaC10H22N3+
Molecular Weight184.31 g/mol
Exact Mass184.18
IUPAC Name[3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
SMILESCCN(C)C(=CN(C)C)C=[N+](C)C
InChIInChI=1S/C10H22N3/c1-7-13(6)10(8-11(2)3)9-12(4)5/h8-9H,7H2,1-6H3/q+1
InChIKeyNVDRECVGBMJBPC-UHFFFAOYSA-N
XLogP0.68
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 10803918
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
1,6-Dimethylpyrazine
CID 90455649
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
CID 134893672
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium
CID 11782398
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
CID 177404456
[(E)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium
CID 177506067
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
1-Methyl-2-methylidenepyrazine
CID 57557995
3-(Diethylamino)prop-2-enylidene-diethylazanium
CID 58911991
3-[Di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium
CID 58911998

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
The IUPAC name of [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium (CID 123420821) is [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium is CCN(C)C(=CN(C)C)C=[N+](C)C.
What is the InChIKey of [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
The InChIKey is NVDRECVGBMJBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3/c1-7-13(6)10(8-11(2)3)9-12(4)5/h8-9H,7H2,1-6H3/q+1.
What are the key properties of [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
[3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium has a molecular weight of 184.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 123420821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).