ethyl-bis(prop-2-enyl)-propylazanium

C11H22N+ — CID 21393127

IUPACethyl-bis(prop-2-enyl)-propylazanium
SMILESC=CC[N+](CC)(CC=C)CCC
InChIInChI=1S/C11H22N/c1-5-9-12(8-4,10-6-2)11-7-3/h5-6H,1-2,7-11H2,3-4H3/q+1
InChIKeyJATONFTXOOBVHC-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.61
Rot. Bonds7

About ethyl-bis(prop-2-enyl)-propylazanium

ethyl-bis(prop-2-enyl)-propylazanium (PubChem CID 21393127) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is ethyl-bis(prop-2-enyl)-propylazanium.

Molecular Properties

Compound Nameethyl-bis(prop-2-enyl)-propylazanium
PubChem CID21393127
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Nameethyl-bis(prop-2-enyl)-propylazanium
SMILESC=CC[N+](CC)(CC=C)CCC
InChIInChI=1S/C11H22N/c1-5-9-12(8-4,10-6-2)11-7-3/h5-6H,1-2,7-11H2,3-4H3/q+1
InChIKeyJATONFTXOOBVHC-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 ethyl-bis(prop-2-enyl)-propylazanium?
The IUPAC name of ethyl-bis(prop-2-enyl)-propylazanium (CID 21393127) is ethyl-bis(prop-2-enyl)-propylazanium.
What is the SMILES notation for ethyl-bis(prop-2-enyl)-propylazanium?
The canonical SMILES for ethyl-bis(prop-2-enyl)-propylazanium is C=CC[N+](CC)(CC=C)CCC.
What is the InChIKey of ethyl-bis(prop-2-enyl)-propylazanium?
The InChIKey is JATONFTXOOBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-5-9-12(8-4,10-6-2)11-7-3/h5-6H,1-2,7-11H2,3-4H3/q+1.
What are the key properties of ethyl-bis(prop-2-enyl)-propylazanium?
ethyl-bis(prop-2-enyl)-propylazanium has a molecular weight of 168.30 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis(prop-2-enyl)-propylazanium is sourced from PubChem (CID 21393127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).