methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium

C8H14N+ — CID 89240338

IUPACmethyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium
SMILESC=C(C)/C=[N+](C)/C=C\C
InChIInChI=1S/C8H14N/c1-5-6-9(4)7-8(2)3/h5-7H,2H2,1,3-4H3/q+1/b6-5-,9-7+
InChIKeyVUGOGVJTNXYIHE-BZWSEGBZSA-N
MW124.21 g/mol
LogP1.81
Rot. Bonds2

About methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium

methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium (PubChem CID 89240338) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium.

Molecular Properties

Compound Namemethyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium
PubChem CID89240338
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Namemethyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium
SMILESC=C(C)/C=[N+](C)/C=C\C
InChIInChI=1S/C8H14N/c1-5-6-9(4)7-8(2)3/h5-7H,2H2,1,3-4H3/q+1/b6-5-,9-7+
InChIKeyVUGOGVJTNXYIHE-BZWSEGBZSA-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 methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium?
The IUPAC name of methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium (CID 89240338) is methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium.
What is the SMILES notation for methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium?
The canonical SMILES for methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium is C=C(C)/C=[N+](C)/C=C\C.
What is the InChIKey of methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium?
The InChIKey is VUGOGVJTNXYIHE-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H14N/c1-5-6-9(4)7-8(2)3/h5-7H,2H2,1,3-4H3/q+1/b6-5-,9-7+.
What are the key properties of methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium?
methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]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 methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium is sourced from PubChem (CID 89240338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).