2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium

C14H26N2+2 — CID 20583737

IUPAC2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CC[NH+](CC=C)CC=C
InChIInChI=1S/C14H24N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-8H,1-4,9-14H2/p+2
InChIKeyQJFMXJDSWJZAAL-UHFFFAOYSA-P
MW222.38 g/mol
LogP-0.50
Rot. Bonds11

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

2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium (PubChem CID 20583737) has the molecular formula C14H26N2+2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium
PubChem CID20583737
Molecular FormulaC14H26N2+2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CC[NH+](CC=C)CC=C
InChIInChI=1S/C14H24N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-8H,1-4,9-14H2/p+2
InChIKeyQJFMXJDSWJZAAL-UHFFFAOYSA-P
XLogP-0.50
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium?
The IUPAC name of 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium (CID 20583737) is 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)CC[NH+](CC=C)CC=C.
What is the InChIKey of 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium?
The InChIKey is QJFMXJDSWJZAAL-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H24N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-8H,1-4,9-14H2/p+2.
What are the key properties of 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium?
2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium has a molecular weight of 222.38 g/mol, XLogP of -0.50, 11 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 20583737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).