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

C19H30ClN3 — CID 87117945

IUPACtris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride
SMILESC=CC/N=C(\N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C.[Cl-]
InChIInChI=1S/C19H30N3.ClH/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;1H/q+1;/p-1/b20-19+;
InChIKeyVGDIBBNXYXQFJV-RZLHGTIFSA-M
MW335.92 g/mol
LogP0.58
Rot. Bonds12

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

tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride (PubChem CID 87117945) has the molecular formula C19H30ClN3 and a molecular weight of 335.92 g/mol. Its IUPAC name is tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride.

Molecular Properties

Compound Nametris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride
PubChem CID87117945
Molecular FormulaC19H30ClN3
Molecular Weight335.92 g/mol
Exact Mass335.21
IUPAC Nametris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride
SMILESC=CC/N=C(\N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C.[Cl-]
InChIInChI=1S/C19H30N3.ClH/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;1H/q+1;/p-1/b20-19+;
InChIKeyVGDIBBNXYXQFJV-RZLHGTIFSA-M
XLogP0.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 50.58
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'}

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Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride?
The IUPAC name of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride (CID 87117945) is tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride.
What is the SMILES notation for tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride?
The canonical SMILES for tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride is C=CC/N=C(\N(CC=C)CC=C)[N+](CC=C)(CC=C)CC=C.[Cl-].
What is the InChIKey of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride?
The InChIKey is VGDIBBNXYXQFJV-RZLHGTIFSA-M. The full InChI is InChI=1S/C19H30N3.ClH/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;1H/q+1;/p-1/b20-19+;.
What are the key properties of tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride?
tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride has a molecular weight of 335.92 g/mol, XLogP of 0.58, 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 chloride is sourced from PubChem (CID 87117945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).