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

C8H16ClN2+ — CID 90715688

IUPAC[2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
SMILESCCN(C)C=C(Cl)C=[N+](C)C
InChIInChI=1S/C8H16ClN2/c1-5-11(4)7-8(9)6-10(2)3/h6-7H,5H2,1-4H3/q+1
InChIKeyKDGMKPBHUJVPQG-UHFFFAOYSA-N
MW175.68 g/mol
LogP1.36
Rot. Bonds3

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

[2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium (PubChem CID 90715688) has the molecular formula C8H16ClN2+ and a molecular weight of 175.68 g/mol. Its IUPAC name is [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
PubChem CID90715688
Molecular FormulaC8H16ClN2+
Molecular Weight175.68 g/mol
Exact Mass175.10
IUPAC Name[2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
SMILESCCN(C)C=C(Cl)C=[N+](C)C
InChIInChI=1S/C8H16ClN2/c1-5-11(4)7-8(9)6-10(2)3/h6-7H,5H2,1-4H3/q+1
InChIKeyKDGMKPBHUJVPQG-UHFFFAOYSA-N
XLogP1.36
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium
CID 10590808
[2-Chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 54540575
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
CID 134893672
[(Z)-3-amino-2-chloroprop-2-enylidene]-dimethylazanium
CID 135035402
[(Z)-3-amino-2-chloronioprop-2-enylidene]-dimethylazanium
CID 135045540
[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
CID 135056281
[(E)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 10892152
(Z)-2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 20667853
(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine
CID 54765530
(E)-2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 59959970
2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 72607322
2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine
CID 76191596

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
The IUPAC name of [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium (CID 90715688) is [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium is CCN(C)C=C(Cl)C=[N+](C)C.
What is the InChIKey of [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
The InChIKey is KDGMKPBHUJVPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN2/c1-5-11(4)7-8(9)6-10(2)3/h6-7H,5H2,1-4H3/q+1.
What are the key properties of [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium?
[2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium has a molecular weight of 175.68 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 90715688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).