tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium

C13H22N3+ — CID 87191860

IUPACtris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium
SMILESC=CC/N=C(\N)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C13H22N3/c1-5-9-15-13(14)16(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,14,15)/q+1
InChIKeyXXEGXRKLSISGGT-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.86
Rot. Bonds8

About tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium

tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium (PubChem CID 87191860) has the molecular formula C13H22N3+ and a molecular weight of 220.34 g/mol. Its IUPAC name is tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium.

Molecular Properties

Compound Nametris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium
PubChem CID87191860
Molecular FormulaC13H22N3+
Molecular Weight220.34 g/mol
Exact Mass220.18
IUPAC Nametris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium
SMILESC=CC/N=C(\N)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C13H22N3/c1-5-9-15-13(14)16(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,14,15)/q+1
InChIKeyXXEGXRKLSISGGT-UHFFFAOYSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium?
The IUPAC name of tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium (CID 87191860) is tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium.
What is the SMILES notation for tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium?
The canonical SMILES for tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium is C=CC/N=C(\N)[N+](CC=C)(CC=C)CC=C.
What is the InChIKey of tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium?
The InChIKey is XXEGXRKLSISGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N3/c1-5-9-15-13(14)16(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,14,15)/q+1.
What are the key properties of tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium?
tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium has a molecular weight of 220.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium is sourced from PubChem (CID 87191860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).