ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium

C8H14N+ — CID 89340691

IUPACethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium
SMILESC=C/[N+](C)=C/C(C)=C\C
InChIInChI=1S/C8H14N/c1-5-8(3)7-9(4)6-2/h5-7H,2H2,1,3-4H3/q+1/b8-5-,9-7+
InChIKeySSIGANFMHKHLQW-ANVCMGODSA-N
MW124.21 g/mol
LogP1.81
Rot. Bonds2

About ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium

ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium (PubChem CID 89340691) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium.

Molecular Properties

Compound Nameethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium
PubChem CID89340691
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Nameethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium
SMILESC=C/[N+](C)=C/C(C)=C\C
InChIInChI=1S/C8H14N/c1-5-8(3)7-9(4)6-2/h5-7H,2H2,1,3-4H3/q+1/b8-5-,9-7+
InChIKeySSIGANFMHKHLQW-ANVCMGODSA-N
XLogP1.81
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.81
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 ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium?
The IUPAC name of ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium (CID 89340691) is ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium.
What is the SMILES notation for ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium?
The canonical SMILES for ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium is C=C/[N+](C)=C/C(C)=C\C.
What is the InChIKey of ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium?
The InChIKey is SSIGANFMHKHLQW-ANVCMGODSA-N. The full InChI is InChI=1S/C8H14N/c1-5-8(3)7-9(4)6-2/h5-7H,2H2,1,3-4H3/q+1/b8-5-,9-7+.
What are the key properties of ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium?
ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium has a molecular weight of 124.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-[(Z)-2-methylbut-2-enylidene]azanium is sourced from PubChem (CID 89340691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).