tributyl(prop-2-enyl)azanium chloride

C15H32ClN — CID 3024222

IUPACtributyl(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C15H32N.ClH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1
InChIKeyNELXXSFAXNBCEP-UHFFFAOYSA-M
MW261.88 g/mol
LogP1.39
Rot. Bonds11

About tributyl(prop-2-enyl)azanium chloride

tributyl(prop-2-enyl)azanium chloride (PubChem CID 3024222) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is tributyl(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Nametributyl(prop-2-enyl)azanium chloride
PubChem CID3024222
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Nametributyl(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C15H32N.ClH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1
InChIKeyNELXXSFAXNBCEP-UHFFFAOYSA-M
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.88
LogP ≤ 51.39
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

dibutyl-octadecyl-prop-2-enylazanium
CID 87194444
dibutyl-dodecyl-prop-2-enylazanium bromide
CID 22348531
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
pentyl-tris(prop-2-enyl)azanium
CID 87393488
bis(prop-2-enyl)-di(undecyl)azanium
CID 101038500
bis(2-hydroxyethyl)-prop-2-enyl-tetradecylazanium chloride
CID 21149748
bis(2-hydroxyethyl)-octadecyl-prop-2-enylazanium chloride
CID 3086381
dioctyl-bis(prop-2-enyl)azanium bromide
CID 19847234
but-3-enyl-didodecyl-prop-2-enylazanium
CID 175155543
tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
CID 139884692
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
prop-2-ene-1-sulfonate;trioctyl(prop-2-enyl)azanium
CID 122446336

Frequently Asked Questions

What is the IUPAC name of tributyl(prop-2-enyl)azanium chloride?
The IUPAC name of tributyl(prop-2-enyl)azanium chloride (CID 3024222) is tributyl(prop-2-enyl)azanium chloride.
What is the SMILES notation for tributyl(prop-2-enyl)azanium chloride?
The canonical SMILES for tributyl(prop-2-enyl)azanium chloride is C=CC[N+](CCCC)(CCCC)CCCC.[Cl-].
What is the InChIKey of tributyl(prop-2-enyl)azanium chloride?
The InChIKey is NELXXSFAXNBCEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32N.ClH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl(prop-2-enyl)azanium chloride?
tributyl(prop-2-enyl)azanium chloride has a molecular weight of 261.88 g/mol, XLogP of 1.39, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(prop-2-enyl)azanium chloride is sourced from PubChem (CID 3024222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).