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

C16H26N3+ — CID 87204778

IUPAC[[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium
SMILESC=CCNC(N(CC=C)CC=C)=[N+](CC=C)CC=C
InChIInChI=1S/C16H25N3/c1-6-11-17-16(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h6-10H,1-5,11-15H2/p+1
InChIKeyPTLVKJVBFBTDID-UHFFFAOYSA-O
MW260.41 g/mol
LogP2.18
Rot. Bonds10

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

[[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium (PubChem CID 87204778) has the molecular formula C16H26N3+ and a molecular weight of 260.41 g/mol. Its IUPAC name is [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name[[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium
PubChem CID87204778
Molecular FormulaC16H26N3+
Molecular Weight260.41 g/mol
Exact Mass260.21
IUPAC Name[[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium
SMILESC=CCNC(N(CC=C)CC=C)=[N+](CC=C)CC=C
InChIInChI=1S/C16H25N3/c1-6-11-17-16(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h6-10H,1-5,11-15H2/p+1
InChIKeyPTLVKJVBFBTDID-UHFFFAOYSA-O
XLogP2.18
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.18
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 [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium?
The IUPAC name of [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium (CID 87204778) is [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium.
What is the SMILES notation for [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium?
The canonical SMILES for [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium is C=CCNC(N(CC=C)CC=C)=[N+](CC=C)CC=C.
What is the InChIKey of [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium?
The InChIKey is PTLVKJVBFBTDID-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3/c1-6-11-17-16(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h6-10H,1-5,11-15H2/p+1.
What are the key properties of [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium?
[[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium has a molecular weight of 260.41 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(prop-2-enyl)amino]-(prop-2-enylamino)methylidene]-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87204778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).