trimethyl(prop-2-enyl)azanium

C6H14N+ — CID 10425

IUPACtrimethyl(prop-2-enyl)azanium
SMILESC=CC[N+](C)(C)C
InChIInChI=1S/C6H14N/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKeyKGVWWFCEYXERAE-UHFFFAOYSA-N
MW100.18 g/mol
LogP0.88
Rot. Bonds2

About trimethyl(prop-2-enyl)azanium

trimethyl(prop-2-enyl)azanium (PubChem CID 10425) has the molecular formula C6H14N+ and a molecular weight of 100.18 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)azanium
PubChem CID10425
Molecular FormulaC6H14N+
Molecular Weight100.18 g/mol
Exact Mass100.11
IUPAC Nametrimethyl(prop-2-enyl)azanium
SMILESC=CC[N+](C)(C)C
InChIInChI=1S/C6H14N/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKeyKGVWWFCEYXERAE-UHFFFAOYSA-N
XLogP0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diallyldimethylammonium chloride
CID 33286
Triallylamine
CID 7617
Allyltrimethylammonium chloride
CID 15198
N,N-Dimethylallylamine
CID 75082
Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
Allyltriethylammonium iodide
CID 20151
2-Propen-1-aminium, N,N,N-triethyl-, bromide (1:1)
CID 122377
(2E)-N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine
CID 5365279
2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1)
CID 83148
2-Propen-1-aminium, N,N,N-trimethyl-, bromide (1:1)
CID 76358
2,5-Dihydro-1-methylpyrrole
CID 136355

Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enyl)azanium?
The IUPAC name of trimethyl(prop-2-enyl)azanium (CID 10425) is trimethyl(prop-2-enyl)azanium.
What is the SMILES notation for trimethyl(prop-2-enyl)azanium?
The canonical SMILES for trimethyl(prop-2-enyl)azanium is C=CC[N+](C)(C)C.
What is the InChIKey of trimethyl(prop-2-enyl)azanium?
The InChIKey is KGVWWFCEYXERAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1.
What are the key properties of trimethyl(prop-2-enyl)azanium?
trimethyl(prop-2-enyl)azanium has a molecular weight of 100.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)azanium is sourced from PubChem (CID 10425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).