ethylidene-methyl-prop-1-en-2-ylazanium

C6H12N+ — CID 22082298

IUPACethylidene-methyl-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C/C
InChIInChI=1S/C6H12N/c1-5-7(4)6(2)3/h5H,2H2,1,3-4H3/q+1/b7-5+
InChIKeyYTQSKWYVQLGYRY-FNORWQNLSA-N
MW98.17 g/mol
LogP1.25
Rot. Bonds1

About ethylidene-methyl-prop-1-en-2-ylazanium

ethylidene-methyl-prop-1-en-2-ylazanium (PubChem CID 22082298) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is ethylidene-methyl-prop-1-en-2-ylazanium.

Molecular Properties

Compound Nameethylidene-methyl-prop-1-en-2-ylazanium
PubChem CID22082298
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Nameethylidene-methyl-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C/C
InChIInChI=1S/C6H12N/c1-5-7(4)6(2)3/h5H,2H2,1,3-4H3/q+1/b7-5+
InChIKeyYTQSKWYVQLGYRY-FNORWQNLSA-N
XLogP1.25
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 51.25
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'}

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Related Compounds

1,6-Dimethylpyrazine
CID 90455649
N-(3-fluoroprop-1-en-2-yl)ethanimine
CID 167049376
N-prop-1-en-2-ylethanimine
CID 13099162
N-prop-1-en-2-ylpropan-1-imine
CID 13099163
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
1,5-dimethyl-2H-pyrazine
CID 20164412
N-but-2-en-2-ylethanimine
CID 20749343
N-but-2-en-2-ylpropan-1-imine
CID 21054927
Methyl-propan-2-ylidene-prop-1-en-2-ylazanium
CID 22974427
1,5-Dimethyl-2-methylidenepyrazine
CID 60079390
1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
CID 88874600
2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine
CID 89038751

Frequently Asked Questions

What is the IUPAC name of ethylidene-methyl-prop-1-en-2-ylazanium?
The IUPAC name of ethylidene-methyl-prop-1-en-2-ylazanium (CID 22082298) is ethylidene-methyl-prop-1-en-2-ylazanium.
What is the SMILES notation for ethylidene-methyl-prop-1-en-2-ylazanium?
The canonical SMILES for ethylidene-methyl-prop-1-en-2-ylazanium is C=C(C)/[N+](C)=C/C.
What is the InChIKey of ethylidene-methyl-prop-1-en-2-ylazanium?
The InChIKey is YTQSKWYVQLGYRY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N/c1-5-7(4)6(2)3/h5H,2H2,1,3-4H3/q+1/b7-5+.
What are the key properties of ethylidene-methyl-prop-1-en-2-ylazanium?
ethylidene-methyl-prop-1-en-2-ylazanium has a molecular weight of 98.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-prop-1-en-2-ylazanium is sourced from PubChem (CID 22082298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).