ethyl-methylidene-prop-1-en-2-ylazanium

C6H12N+ — CID 123887458

IUPACethyl-methylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](=C)CC
InChIInChI=1S/C6H12N/c1-5-7(4)6(2)3/h2,4-5H2,1,3H3/q+1
InChIKeyQFLLTBMEIAJLLS-UHFFFAOYSA-N
MW98.17 g/mol
LogP1.25
Rot. Bonds2

About ethyl-methylidene-prop-1-en-2-ylazanium

ethyl-methylidene-prop-1-en-2-ylazanium (PubChem CID 123887458) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is ethyl-methylidene-prop-1-en-2-ylazanium.

Molecular Properties

Compound Nameethyl-methylidene-prop-1-en-2-ylazanium
PubChem CID123887458
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Nameethyl-methylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](=C)CC
InChIInChI=1S/C6H12N/c1-5-7(4)6(2)3/h2,4-5H2,1,3H3/q+1
InChIKeyQFLLTBMEIAJLLS-UHFFFAOYSA-N
XLogP1.25
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 ≤ 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

ethyl-methylidene-(2-methylprop-2-enoyl)azanium
CID 20705507
4-methylhexyl-methylidene-prop-1-en-2-ylazanium
CID 174272799
methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
bis(2-methylprop-1-ene);propane
CID 159493997
methane;bis(2-methylbut-1-ene)
CID 160529780
diethyl(methylidene)azanium bromide
CID 71332090
butane;ethane;2-methylprop-1-ene
CID 142168819
manganese;bis(prop-1-en-2-ol);yttrium
CID 21040249
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
butane;ethane;2-methylbut-1-ene
CID 142050807
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
N,N-dimethylmethanamine;methane;2-methylprop-1-ene;propane
CID 158386035

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-prop-1-en-2-ylazanium?
The IUPAC name of ethyl-methylidene-prop-1-en-2-ylazanium (CID 123887458) is ethyl-methylidene-prop-1-en-2-ylazanium.
What is the SMILES notation for ethyl-methylidene-prop-1-en-2-ylazanium?
The canonical SMILES for ethyl-methylidene-prop-1-en-2-ylazanium is C=C(C)[N+](=C)CC.
What is the InChIKey of ethyl-methylidene-prop-1-en-2-ylazanium?
The InChIKey is QFLLTBMEIAJLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N/c1-5-7(4)6(2)3/h2,4-5H2,1,3H3/q+1.
What are the key properties of ethyl-methylidene-prop-1-en-2-ylazanium?
ethyl-methylidene-prop-1-en-2-ylazanium has a molecular weight of 98.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-prop-1-en-2-ylazanium is sourced from PubChem (CID 123887458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).