tributyl(ethenyl)azanium

C14H30N+ — CID 90341406

IUPACtributyl(ethenyl)azanium
SMILESC=C[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H30N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h8H,4-7,9-14H2,1-3H3/q+1
InChIKeyYMVKQJSYPJWSHV-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.35
Rot. Bonds10

About tributyl(ethenyl)azanium

tributyl(ethenyl)azanium (PubChem CID 90341406) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is tributyl(ethenyl)azanium.

Molecular Properties

Compound Nametributyl(ethenyl)azanium
PubChem CID90341406
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Nametributyl(ethenyl)azanium
SMILESC=C[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H30N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h8H,4-7,9-14H2,1-3H3/q+1
InChIKeyYMVKQJSYPJWSHV-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.35
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 tributyl(ethenyl)azanium?
The IUPAC name of tributyl(ethenyl)azanium (CID 90341406) is tributyl(ethenyl)azanium.
What is the SMILES notation for tributyl(ethenyl)azanium?
The canonical SMILES for tributyl(ethenyl)azanium is C=C[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(ethenyl)azanium?
The InChIKey is YMVKQJSYPJWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3/h8H,4-7,9-14H2,1-3H3/q+1.
What are the key properties of tributyl(ethenyl)azanium?
tributyl(ethenyl)azanium has a molecular weight of 212.40 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(ethenyl)azanium is sourced from PubChem (CID 90341406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).