but-2-enylidene-ethyl-methylazanium

C7H14N+ — CID 123704116

IUPACbut-2-enylidene-ethyl-methylazanium
SMILESCC=C/C=[N+](\C)CC
InChIInChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4,6-7H,5H2,1-3H3/q+1/b6-4?,8-7+
InChIKeyFCNLMUNPSNLOQA-MPDFOIGASA-N
MW112.20 g/mol
LogP1.30
Rot. Bonds2

About but-2-enylidene-ethyl-methylazanium

but-2-enylidene-ethyl-methylazanium (PubChem CID 123704116) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is but-2-enylidene-ethyl-methylazanium.

Molecular Properties

Compound Namebut-2-enylidene-ethyl-methylazanium
PubChem CID123704116
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namebut-2-enylidene-ethyl-methylazanium
SMILESCC=C/C=[N+](\C)CC
InChIInChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4,6-7H,5H2,1-3H3/q+1/b6-4?,8-7+
InChIKeyFCNLMUNPSNLOQA-MPDFOIGASA-N
XLogP1.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-2-enylidene-ethyl-methylazanium 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

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(1E)-N-Methylprop-2-en-1-imine
CID 15361483
2-Aza-2,4,6-heptatriene
CID 59945193
(E)-5-Azahepta-2,4-diene
CID 5463161
(Z)-N-(fluoromethyl)but-2-en-1-imine
CID 154033399
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
(E)-N-propylbut-2-en-1-imine
CID 10866289
1-Prop-2-enylideneaziridin-1-ium
CID 134940569
[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium
CID 135051495
1,3-Dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
CID 164667678

Frequently Asked Questions

What is the IUPAC name of but-2-enylidene-ethyl-methylazanium?
The IUPAC name of but-2-enylidene-ethyl-methylazanium (CID 123704116) is but-2-enylidene-ethyl-methylazanium.
What is the SMILES notation for but-2-enylidene-ethyl-methylazanium?
The canonical SMILES for but-2-enylidene-ethyl-methylazanium is CC=C/C=[N+](\C)CC.
What is the InChIKey of but-2-enylidene-ethyl-methylazanium?
The InChIKey is FCNLMUNPSNLOQA-MPDFOIGASA-N. The full InChI is InChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4,6-7H,5H2,1-3H3/q+1/b6-4?,8-7+.
What are the key properties of but-2-enylidene-ethyl-methylazanium?
but-2-enylidene-ethyl-methylazanium has a molecular weight of 112.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylidene-ethyl-methylazanium is sourced from PubChem (CID 123704116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).