tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium

C19H30N3+ — CID 87064906

IUPACtris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium
SMILESC=CC/N=C(\N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C19H30N3/c1-7-13-20-19(21(14-8-2)15-9-3)22(16-10-4,17-11-5)18-12-6/h7-12H,1-6,13-18H2/q+1/b20-19+
InChIKeyZUHYWRZOPPEFTF-FMQUCBEESA-N
MW300.47 g/mol
LogP3.58
Rot. Bonds12

About tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium

tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium (PubChem CID 87064906) has the molecular formula C19H30N3+ and a molecular weight of 300.47 g/mol. Its IUPAC name is tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium.

Molecular Properties

Compound Nametris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium
PubChem CID87064906
Molecular FormulaC19H30N3+
Molecular Weight300.47 g/mol
Exact Mass300.24
IUPAC Nametris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium
SMILESC=CC/N=C(\N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C19H30N3/c1-7-13-20-19(21(14-8-2)15-9-3)22(16-10-4,17-11-5)18-12-6/h7-12H,1-6,13-18H2/q+1/b20-19+
InChIKeyZUHYWRZOPPEFTF-FMQUCBEESA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
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,N,N'-tris(prop-2-enyl)carbamimidoyl]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,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium?
The IUPAC name of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium (CID 87064906) is tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium.
What is the SMILES notation for tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium?
The canonical SMILES for tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium is C=CC/N=C(\N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C.
What is the InChIKey of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium?
The InChIKey is ZUHYWRZOPPEFTF-FMQUCBEESA-N. The full InChI is InChI=1S/C19H30N3/c1-7-13-20-19(21(14-8-2)15-9-3)22(16-10-4,17-11-5)18-12-6/h7-12H,1-6,13-18H2/q+1/b20-19+.
What are the key properties of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium?
tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium has a molecular weight of 300.47 g/mol, XLogP of 3.58, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium is sourced from PubChem (CID 87064906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).