[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium

C8H17N2O+ — CID 146178526

IUPAC[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium
SMILESCO/C(C=[N+](C)C)=C/N(C)C
InChIInChI=1S/C8H17N2O/c1-9(2)6-8(11-5)7-10(3)4/h6-7H,1-5H3/q+1
InChIKeyBHQLYYYSAOMDBP-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.38
Rot. Bonds3

About [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium

[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium (PubChem CID 146178526) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium
PubChem CID146178526
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium
SMILESCO/C(C=[N+](C)C)=C/N(C)C
InChIInChI=1S/C8H17N2O/c1-9(2)6-8(11-5)7-10(3)4/h6-7H,1-5H3/q+1
InChIKeyBHQLYYYSAOMDBP-UHFFFAOYSA-N
XLogP0.38
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(E)-3-(dimethylamino)-2-methoxyprop-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

K 154028
CID 3036457
Mdl 310
CID 3036458
K 152564
CID 3035729
K 152848
CID 3037176
[(Z)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium perchlorate
CID 12220711
[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate
CID 12727111
3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium
CID 146889
3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide
CID 146891
[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate
CID 134891179
[(Z)-3-(diethylamino)-2-(2,2,2-trifluoroethoxy)prop-2-enylidene]-diethylazanium
CID 102331599
[(E)-3-(diethylamino)-2-(2,2,2-trifluoroethoxy)prop-2-enylidene]-dimethylazanium
CID 177566344
[2-Butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 126675

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium (CID 146178526) is [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium is CO/C(C=[N+](C)C)=C/N(C)C.
What is the InChIKey of [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium?
The InChIKey is BHQLYYYSAOMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O/c1-9(2)6-8(11-5)7-10(3)4/h6-7H,1-5H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium has a molecular weight of 157.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 146178526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).