methyl-methylidene-(2-methylprop-1-enyl)azanium

C6H12N+ — CID 123283691

IUPACmethyl-methylidene-(2-methylprop-1-enyl)azanium
SMILESC=[N+](C)C=C(C)C
InChIInChI=1S/C6H12N/c1-6(2)5-7(3)4/h5H,3H2,1-2,4H3/q+1
InChIKeyIQMUYHXAULZAKF-UHFFFAOYSA-N
MW98.17 g/mol
LogP1.25
Rot. Bonds1

About methyl-methylidene-(2-methylprop-1-enyl)azanium

methyl-methylidene-(2-methylprop-1-enyl)azanium (PubChem CID 123283691) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is methyl-methylidene-(2-methylprop-1-enyl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(2-methylprop-1-enyl)azanium
PubChem CID123283691
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namemethyl-methylidene-(2-methylprop-1-enyl)azanium
SMILESC=[N+](C)C=C(C)C
InChIInChI=1S/C6H12N/c1-6(2)5-7(3)4/h5H,3H2,1-2,4H3/q+1
InChIKeyIQMUYHXAULZAKF-UHFFFAOYSA-N
XLogP1.25
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(2-methylprop-1-enyl)azanium?
The IUPAC name of methyl-methylidene-(2-methylprop-1-enyl)azanium (CID 123283691) is methyl-methylidene-(2-methylprop-1-enyl)azanium.
What is the SMILES notation for methyl-methylidene-(2-methylprop-1-enyl)azanium?
The canonical SMILES for methyl-methylidene-(2-methylprop-1-enyl)azanium is C=[N+](C)C=C(C)C.
What is the InChIKey of methyl-methylidene-(2-methylprop-1-enyl)azanium?
The InChIKey is IQMUYHXAULZAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N/c1-6(2)5-7(3)4/h5H,3H2,1-2,4H3/q+1.
What are the key properties of methyl-methylidene-(2-methylprop-1-enyl)azanium?
methyl-methylidene-(2-methylprop-1-enyl)azanium has a molecular weight of 98.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(2-methylprop-1-enyl)azanium is sourced from PubChem (CID 123283691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).