tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride

C20H34Cl2N2 — CID 139884686

IUPACtris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
SMILESC=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C20H34N2.2ClH/c1-7-13-21(14-8-2,15-9-3)19-20-22(16-10-4,17-11-5)18-12-6;;/h7-12H,1-6,13-20H2;2*1H/q+2;;/p-2
InChIKeyPJTMQERNGSTDSU-UHFFFAOYSA-L
MW373.41 g/mol
LogP-2.26
Rot. Bonds15

About tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride

tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride (PubChem CID 139884686) has the molecular formula C20H34Cl2N2 and a molecular weight of 373.41 g/mol. Its IUPAC name is tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride.

Molecular Properties

Compound Nametris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
PubChem CID139884686
Molecular FormulaC20H34Cl2N2
Molecular Weight373.41 g/mol
Exact Mass372.21
IUPAC Nametris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
SMILESC=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-]
InChIInChI=1S/C20H34N2.2ClH/c1-7-13-21(14-8-2,15-9-3)19-20-22(16-10-4,17-11-5)18-12-6;;/h7-12H,1-6,13-20H2;2*1H/q+2;;/p-2
InChIKeyPJTMQERNGSTDSU-UHFFFAOYSA-L
XLogP-2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
The IUPAC name of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride (CID 139884686) is tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride.
What is the SMILES notation for tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
The canonical SMILES for tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride is C=CC[N+](CC=C)(CC=C)CC[N+](CC=C)(CC=C)CC=C.[Cl-].[Cl-].
What is the InChIKey of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
The InChIKey is PJTMQERNGSTDSU-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H34N2.2ClH/c1-7-13-21(14-8-2,15-9-3)19-20-22(16-10-4,17-11-5)18-12-6;;/h7-12H,1-6,13-20H2;2*1H/q+2;;/p-2.
What are the key properties of tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride?
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride has a molecular weight of 373.41 g/mol, XLogP of -2.26, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride is sourced from PubChem (CID 139884686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).