ethyl-methyl-prop-2-enylideneazanium

C6H12N+ — CID 123768105

IUPACethyl-methyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)CC
InChIInChI=1S/C6H12N/c1-4-6-7(3)5-2/h4,6H,1,5H2,2-3H3/q+1/b7-6+
InChIKeyQGQFQBYCDQQRAR-VOTSOKGWSA-N
MW98.17 g/mol
LogP0.91
Rot. Bonds2

About ethyl-methyl-prop-2-enylideneazanium

ethyl-methyl-prop-2-enylideneazanium (PubChem CID 123768105) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is ethyl-methyl-prop-2-enylideneazanium.

Molecular Properties

Compound Nameethyl-methyl-prop-2-enylideneazanium
PubChem CID123768105
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Nameethyl-methyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)CC
InChIInChI=1S/C6H12N/c1-4-6-7(3)5-2/h4,6H,1,5H2,2-3H3/q+1/b7-6+
InChIKeyQGQFQBYCDQQRAR-VOTSOKGWSA-N
XLogP0.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-prop-2-enylideneazanium?
The IUPAC name of ethyl-methyl-prop-2-enylideneazanium (CID 123768105) is ethyl-methyl-prop-2-enylideneazanium.
What is the SMILES notation for ethyl-methyl-prop-2-enylideneazanium?
The canonical SMILES for ethyl-methyl-prop-2-enylideneazanium is C=C/C=[N+](\C)CC.
What is the InChIKey of ethyl-methyl-prop-2-enylideneazanium?
The InChIKey is QGQFQBYCDQQRAR-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N/c1-4-6-7(3)5-2/h4,6H,1,5H2,2-3H3/q+1/b7-6+.
What are the key properties of ethyl-methyl-prop-2-enylideneazanium?
ethyl-methyl-prop-2-enylideneazanium has a molecular weight of 98.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-prop-2-enylideneazanium is sourced from PubChem (CID 123768105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).