3-ethylidene-1-methyl-2-propylideneazet-1-ium

C9H14N+ — CID 123832679

IUPAC3-ethylidene-1-methyl-2-propylideneazet-1-ium
SMILESCC=C1C=[N+](C)C1=CCC
InChIInChI=1S/C9H14N/c1-4-6-9-8(5-2)7-10(9)3/h5-7H,4H2,1-3H3/q+1
InChIKeyMEQKQVRTSGFUQH-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.95
Rot. Bonds1

About 3-ethylidene-1-methyl-2-propylideneazet-1-ium

3-ethylidene-1-methyl-2-propylideneazet-1-ium (PubChem CID 123832679) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is 3-ethylidene-1-methyl-2-propylideneazet-1-ium.

Molecular Properties

Compound Name3-ethylidene-1-methyl-2-propylideneazet-1-ium
PubChem CID123832679
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name3-ethylidene-1-methyl-2-propylideneazet-1-ium
SMILESCC=C1C=[N+](C)C1=CCC
InChIInChI=1S/C9H14N/c1-4-6-9-8(5-2)7-10(9)3/h5-7H,4H2,1-3H3/q+1
InChIKeyMEQKQVRTSGFUQH-UHFFFAOYSA-N
XLogP1.95
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
[(3Z,5Z)-4-fluoro-3-methylocta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 153552729
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
CID 89225903
N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]prop-2-en-1-imine
CID 89278502
2-Methyl-4,5-dimethylidenepyridine
CID 89278992
3,7-dimethyl-8H-cyclohepta[b]pyridine
CID 89302809
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-methylprop-2-en-1-imine
CID 89426810
(3Z)-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-imine
CID 89775173
5-Methyl-2,3-dimethylidenepyridine
CID 91089129
3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine
CID 91217788
2-ethenyl-5-ethylidene-4H-pyridine
CID 91429660

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1-methyl-2-propylideneazet-1-ium?
The IUPAC name of 3-ethylidene-1-methyl-2-propylideneazet-1-ium (CID 123832679) is 3-ethylidene-1-methyl-2-propylideneazet-1-ium.
What is the SMILES notation for 3-ethylidene-1-methyl-2-propylideneazet-1-ium?
The canonical SMILES for 3-ethylidene-1-methyl-2-propylideneazet-1-ium is CC=C1C=[N+](C)C1=CCC.
What is the InChIKey of 3-ethylidene-1-methyl-2-propylideneazet-1-ium?
The InChIKey is MEQKQVRTSGFUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-4-6-9-8(5-2)7-10(9)3/h5-7H,4H2,1-3H3/q+1.
What are the key properties of 3-ethylidene-1-methyl-2-propylideneazet-1-ium?
3-ethylidene-1-methyl-2-propylideneazet-1-ium has a molecular weight of 136.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1-methyl-2-propylideneazet-1-ium is sourced from PubChem (CID 123832679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).