pentyl-tris(prop-2-enyl)azanium

C14H26N+ — CID 87393488

IUPACpentyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CCCCC
InChIInChI=1S/C14H26N/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4/h6-8H,2-5,9-14H2,1H3/q+1
InChIKeyABEVQCDLOPRBTO-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.55
Rot. Bonds10

About pentyl-tris(prop-2-enyl)azanium

pentyl-tris(prop-2-enyl)azanium (PubChem CID 87393488) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is pentyl-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Namepentyl-tris(prop-2-enyl)azanium
PubChem CID87393488
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Namepentyl-tris(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CCCCC
InChIInChI=1S/C14H26N/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4/h6-8H,2-5,9-14H2,1H3/q+1
InChIKeyABEVQCDLOPRBTO-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl)-di(undecyl)azanium
CID 101038500
dibutyl-octadecyl-prop-2-enylazanium
CID 87194444
dioctyl-bis(prop-2-enyl)azanium bromide
CID 19847234
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
dibutyl-dodecyl-prop-2-enylazanium bromide
CID 22348531
tributyl(prop-2-enyl)azanium chloride
CID 3024222
but-3-enyl-didodecyl-prop-2-enylazanium
CID 175155543
bis(2-hydroxyethyl)-prop-2-enyl-tetradecylazanium chloride
CID 21149748
bis(2-hydroxyethyl)-octadecyl-prop-2-enylazanium chloride
CID 3086381
carboxymethyl-bis(prop-2-enyl)-undecylazanium
CID 101084862
tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
CID 139884692
prop-2-ene-1-sulfonate;trioctyl(prop-2-enyl)azanium
CID 122446336

Frequently Asked Questions

What is the IUPAC name of pentyl-tris(prop-2-enyl)azanium?
The IUPAC name of pentyl-tris(prop-2-enyl)azanium (CID 87393488) is pentyl-tris(prop-2-enyl)azanium.
What is the SMILES notation for pentyl-tris(prop-2-enyl)azanium?
The canonical SMILES for pentyl-tris(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CCCCC.
What is the InChIKey of pentyl-tris(prop-2-enyl)azanium?
The InChIKey is ABEVQCDLOPRBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4/h6-8H,2-5,9-14H2,1H3/q+1.
What are the key properties of pentyl-tris(prop-2-enyl)azanium?
pentyl-tris(prop-2-enyl)azanium has a molecular weight of 208.37 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl-tris(prop-2-enyl)azanium is sourced from PubChem (CID 87393488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).