[amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium

C13H22N3+ — CID 87191861

IUPAC[amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium
SMILESC=CCN(CC=C)C(N)=[N+](CC=C)CC=C
InChIInChI=1S/C13H21N3/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h5-8,14H,1-4,9-12H2/p+1
InChIKeySUFQTWOSHIBBMM-UHFFFAOYSA-O
MW220.34 g/mol
LogP1.36
Rot. Bonds8

About [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium

[amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium (PubChem CID 87191861) has the molecular formula C13H22N3+ and a molecular weight of 220.34 g/mol. Its IUPAC name is [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name[amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium
PubChem CID87191861
Molecular FormulaC13H22N3+
Molecular Weight220.34 g/mol
Exact Mass220.18
IUPAC Name[amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium
SMILESC=CCN(CC=C)C(N)=[N+](CC=C)CC=C
InChIInChI=1S/C13H21N3/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h5-8,14H,1-4,9-12H2/p+1
InChIKeySUFQTWOSHIBBMM-UHFFFAOYSA-O
XLogP1.36
TPSA32.27 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium?
The IUPAC name of [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium (CID 87191861) is [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium.
What is the SMILES notation for [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium?
The canonical SMILES for [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium is C=CCN(CC=C)C(N)=[N+](CC=C)CC=C.
What is the InChIKey of [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium?
The InChIKey is SUFQTWOSHIBBMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21N3/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h5-8,14H,1-4,9-12H2/p+1.
What are the key properties of [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium?
[amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium has a molecular weight of 220.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[bis(prop-2-enyl)amino]methylidene]-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87191861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).