trimethyl-(2-methylcyclopropen-1-yl)azanium

C7H14N+ — CID 123447060

IUPACtrimethyl-(2-methylcyclopropen-1-yl)azanium
SMILESCC1=C([N+](C)(C)C)C1
InChIInChI=1S/C7H14N/c1-6-5-7(6)8(2,3)4/h5H2,1-4H3/q+1
InChIKeyWDBATHXSPNSIGJ-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.37
Rot. Bonds1

About trimethyl-(2-methylcyclopropen-1-yl)azanium

trimethyl-(2-methylcyclopropen-1-yl)azanium (PubChem CID 123447060) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is trimethyl-(2-methylcyclopropen-1-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(2-methylcyclopropen-1-yl)azanium
PubChem CID123447060
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Nametrimethyl-(2-methylcyclopropen-1-yl)azanium
SMILESCC1=C([N+](C)(C)C)C1
InChIInChI=1S/C7H14N/c1-6-5-7(6)8(2,3)4/h5H2,1-4H3/q+1
InChIKeyWDBATHXSPNSIGJ-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-methylcyclopropen-1-yl)azanium?
The IUPAC name of trimethyl-(2-methylcyclopropen-1-yl)azanium (CID 123447060) is trimethyl-(2-methylcyclopropen-1-yl)azanium.
What is the SMILES notation for trimethyl-(2-methylcyclopropen-1-yl)azanium?
The canonical SMILES for trimethyl-(2-methylcyclopropen-1-yl)azanium is CC1=C([N+](C)(C)C)C1.
What is the InChIKey of trimethyl-(2-methylcyclopropen-1-yl)azanium?
The InChIKey is WDBATHXSPNSIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-6-5-7(6)8(2,3)4/h5H2,1-4H3/q+1.
What are the key properties of trimethyl-(2-methylcyclopropen-1-yl)azanium?
trimethyl-(2-methylcyclopropen-1-yl)azanium has a molecular weight of 112.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methylcyclopropen-1-yl)azanium is sourced from PubChem (CID 123447060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).