ethylidene-bis(prop-2-enyl)azanium

C8H14N+ — CID 87214862

IUPACethylidene-bis(prop-2-enyl)azanium
SMILESC=CC[N+](=CC)CC=C
InChIInChI=1S/C8H14N/c1-4-7-9(6-3)8-5-2/h4-6H,1-2,7-8H2,3H3/q+1
InChIKeyLIHQZJUNVSSCDE-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.46
Rot. Bonds4

About ethylidene-bis(prop-2-enyl)azanium

ethylidene-bis(prop-2-enyl)azanium (PubChem CID 87214862) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is ethylidene-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Nameethylidene-bis(prop-2-enyl)azanium
PubChem CID87214862
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Nameethylidene-bis(prop-2-enyl)azanium
SMILESC=CC[N+](=CC)CC=C
InChIInChI=1S/C8H14N/c1-4-7-9(6-3)8-5-2/h4-6H,1-2,7-8H2,3H3/q+1
InChIKeyLIHQZJUNVSSCDE-UHFFFAOYSA-N
XLogP1.46
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethylidene-bis(prop-2-enyl)azanium?
The IUPAC name of ethylidene-bis(prop-2-enyl)azanium (CID 87214862) is ethylidene-bis(prop-2-enyl)azanium.
What is the SMILES notation for ethylidene-bis(prop-2-enyl)azanium?
The canonical SMILES for ethylidene-bis(prop-2-enyl)azanium is C=CC[N+](=CC)CC=C.
What is the InChIKey of ethylidene-bis(prop-2-enyl)azanium?
The InChIKey is LIHQZJUNVSSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-4-7-9(6-3)8-5-2/h4-6H,1-2,7-8H2,3H3/q+1.
What are the key properties of ethylidene-bis(prop-2-enyl)azanium?
ethylidene-bis(prop-2-enyl)azanium has a molecular weight of 124.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87214862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).