[(E)-but-1-enyl]-tributylazanium

C16H34N+ — CID 176891437

IUPAC[(E)-but-1-enyl]-tributylazanium
SMILESCC/C=C/[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H34N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h9,13H,5-8,10-12,14-16H2,1-4H3/q+1/b13-9+
InChIKeyRNWJCKRIUGCCCK-UKTHLTGXSA-N
MW240.45 g/mol
LogP5.13
Rot. Bonds11

About [(E)-but-1-enyl]-tributylazanium

[(E)-but-1-enyl]-tributylazanium (PubChem CID 176891437) has the molecular formula C16H34N+ and a molecular weight of 240.45 g/mol. Its IUPAC name is [(E)-but-1-enyl]-tributylazanium.

Molecular Properties

Compound Name[(E)-but-1-enyl]-tributylazanium
PubChem CID176891437
Molecular FormulaC16H34N+
Molecular Weight240.45 g/mol
Exact Mass240.27
IUPAC Name[(E)-but-1-enyl]-tributylazanium
SMILESCC/C=C/[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H34N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h9,13H,5-8,10-12,14-16H2,1-4H3/q+1/b13-9+
InChIKeyRNWJCKRIUGCCCK-UKTHLTGXSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.45
LogP ≤ 55.13
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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Related Compounds

hex-3-ene;sulfane
CID 174453265
(E)-non-3-ene
CID 5364445
hexane;(Z)-pent-2-ene;tetrahydrate
CID 176555754
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(E)-octadec-3-ene
CID 5365984
(Z)-tridec-3-ene
CID 5362711
tetrabutylazanium;hydrobromide;dihydrochloride
CID 175588287
iron;tetrabutylazanium;chloride
CID 157427266

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]-tributylazanium?
The IUPAC name of [(E)-but-1-enyl]-tributylazanium (CID 176891437) is [(E)-but-1-enyl]-tributylazanium.
What is the SMILES notation for [(E)-but-1-enyl]-tributylazanium?
The canonical SMILES for [(E)-but-1-enyl]-tributylazanium is CC/C=C/[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of [(E)-but-1-enyl]-tributylazanium?
The InChIKey is RNWJCKRIUGCCCK-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H34N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h9,13H,5-8,10-12,14-16H2,1-4H3/q+1/b13-9+.
What are the key properties of [(E)-but-1-enyl]-tributylazanium?
[(E)-but-1-enyl]-tributylazanium has a molecular weight of 240.45 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]-tributylazanium is sourced from PubChem (CID 176891437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).