but-3-enyl(trimethyl)azanium

C7H16N+ — CID 26007

IUPACbut-3-enyl(trimethyl)azanium
SMILESC=CCC[N+](C)(C)C
InChIInChI=1S/C7H16N/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChIKeyMCDJQQYRAVOWJR-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.27
Rot. Bonds3

About but-3-enyl(trimethyl)azanium

but-3-enyl(trimethyl)azanium (PubChem CID 26007) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is but-3-enyl(trimethyl)azanium.

Molecular Properties

Compound Namebut-3-enyl(trimethyl)azanium
PubChem CID26007
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Namebut-3-enyl(trimethyl)azanium
SMILESC=CCC[N+](C)(C)C
InChIInChI=1S/C7H16N/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChIKeyMCDJQQYRAVOWJR-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of but-3-enyl(trimethyl)azanium?
The IUPAC name of but-3-enyl(trimethyl)azanium (CID 26007) is but-3-enyl(trimethyl)azanium.
What is the SMILES notation for but-3-enyl(trimethyl)azanium?
The canonical SMILES for but-3-enyl(trimethyl)azanium is C=CCC[N+](C)(C)C.
What is the InChIKey of but-3-enyl(trimethyl)azanium?
The InChIKey is MCDJQQYRAVOWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1.
What are the key properties of but-3-enyl(trimethyl)azanium?
but-3-enyl(trimethyl)azanium has a molecular weight of 114.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl(trimethyl)azanium is sourced from PubChem (CID 26007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).