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

C16H26N3+ — CID 87204776

IUPAC[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium
SMILESC=CC/N=C(\NCC=C)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C16H26N3/c1-6-11-17-16(18-12-7-2)19(13-8-3,14-9-4)15-10-5/h6-10H,1-5,11-15H2,(H,17,18)/q+1
InChIKeyUGMIXMKGOITPSR-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.68
Rot. Bonds10

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

[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium (PubChem CID 87204776) has the molecular formula C16H26N3+ and a molecular weight of 260.40 g/mol. Its IUPAC name is [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium.

Molecular Properties

Compound Name[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium
PubChem CID87204776
Molecular FormulaC16H26N3+
Molecular Weight260.40 g/mol
Exact Mass260.21
IUPAC Name[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium
SMILESC=CC/N=C(\NCC=C)[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C16H26N3/c1-6-11-17-16(18-12-7-2)19(13-8-3,14-9-4)15-10-5/h6-10H,1-5,11-15H2,(H,17,18)/q+1
InChIKeyUGMIXMKGOITPSR-UHFFFAOYSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.68
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'}

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Frequently Asked Questions

What is the IUPAC name of [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium?
The IUPAC name of [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium (CID 87204776) is [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium.
What is the SMILES notation for [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium?
The canonical SMILES for [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium is C=CC/N=C(\NCC=C)[N+](CC=C)(CC=C)CC=C.
What is the InChIKey of [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium?
The InChIKey is UGMIXMKGOITPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N3/c1-6-11-17-16(18-12-7-2)19(13-8-3,14-9-4)15-10-5/h6-10H,1-5,11-15H2,(H,17,18)/q+1.
What are the key properties of [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium?
[N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium has a molecular weight of 260.40 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [N,N'-bis(prop-2-enyl)carbamimidoyl]-tris(prop-2-enyl)azanium is sourced from PubChem (CID 87204776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).