carboxymethyl-bis(prop-2-enyl)-undecylazanium

C19H36NO2+ — CID 101084862

IUPACcarboxymethyl-bis(prop-2-enyl)-undecylazanium
SMILESC=CC[N+](CC=C)(CCCCCCCCCCC)CC(=O)O
InChIInChI=1S/C19H35NO2/c1-4-7-8-9-10-11-12-13-14-17-20(15-5-2,16-6-3)18-19(21)22/h5-6H,2-4,7-18H2,1H3/p+1
InChIKeyQCYLVMBJSFNPPM-UHFFFAOYSA-O
MW310.50 g/mol
LogP4.79
Rot. Bonds16

About carboxymethyl-bis(prop-2-enyl)-undecylazanium

carboxymethyl-bis(prop-2-enyl)-undecylazanium (PubChem CID 101084862) has the molecular formula C19H36NO2+ and a molecular weight of 310.50 g/mol. Its IUPAC name is carboxymethyl-bis(prop-2-enyl)-undecylazanium.

Molecular Properties

Compound Namecarboxymethyl-bis(prop-2-enyl)-undecylazanium
PubChem CID101084862
Molecular FormulaC19H36NO2+
Molecular Weight310.50 g/mol
Exact Mass310.27
IUPAC Namecarboxymethyl-bis(prop-2-enyl)-undecylazanium
SMILESC=CC[N+](CC=C)(CCCCCCCCCCC)CC(=O)O
InChIInChI=1S/C19H35NO2/c1-4-7-8-9-10-11-12-13-14-17-20(15-5-2,16-6-3)18-19(21)22/h5-6H,2-4,7-18H2,1H3/p+1
InChIKeyQCYLVMBJSFNPPM-UHFFFAOYSA-O
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze carboxymethyl-bis(prop-2-enyl)-undecylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
pentyl-tris(prop-2-enyl)azanium
CID 87393488
dibutyl-dodecyl-prop-2-enylazanium bromide
CID 22348531
bis(2-hydroxyethyl)-prop-2-enyl-tetradecylazanium chloride
CID 21149748
bis(2-hydroxyethyl)-octadecyl-prop-2-enylazanium chloride
CID 3086381
but-3-enyl-didodecyl-prop-2-enylazanium
CID 175155543
hexadecyl-[[4-[[hexadecyl-bis(prop-2-enyl)azaniumyl]methyl]phenyl]methyl]-bis(prop-2-enyl)azanium diacetate
CID 73057770
2-[bis(carboxymethyl)-[(E)-icos-12-enyl]azaniumyl]acetate
CID 177404568
2-[bis(carboxymethyl)-[(E)-icos-7-enyl]azaniumyl]acetate
CID 177384557

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-bis(prop-2-enyl)-undecylazanium?
The IUPAC name of carboxymethyl-bis(prop-2-enyl)-undecylazanium (CID 101084862) is carboxymethyl-bis(prop-2-enyl)-undecylazanium.
What is the SMILES notation for carboxymethyl-bis(prop-2-enyl)-undecylazanium?
The canonical SMILES for carboxymethyl-bis(prop-2-enyl)-undecylazanium is C=CC[N+](CC=C)(CCCCCCCCCCC)CC(=O)O.
What is the InChIKey of carboxymethyl-bis(prop-2-enyl)-undecylazanium?
The InChIKey is QCYLVMBJSFNPPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H35NO2/c1-4-7-8-9-10-11-12-13-14-17-20(15-5-2,16-6-3)18-19(21)22/h5-6H,2-4,7-18H2,1H3/p+1.
What are the key properties of carboxymethyl-bis(prop-2-enyl)-undecylazanium?
carboxymethyl-bis(prop-2-enyl)-undecylazanium has a molecular weight of 310.50 g/mol, XLogP of 4.79, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-bis(prop-2-enyl)-undecylazanium is sourced from PubChem (CID 101084862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).