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

C11H22ClN — CID 21393126

IUPACethyl-bis(prop-2-enyl)-propylazanium chloride
SMILESC=CC[N+](CC)(CC=C)CCC.[Cl-]
InChIInChI=1S/C11H22N.ClH/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-6H,1-2,7-11H2,3-4H3;1H/q+1;/p-1
InChIKeyRKUZWJIHSPAIAO-UHFFFAOYSA-M
MW203.76 g/mol
LogP-0.39
Rot. Bonds7

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

ethyl-bis(prop-2-enyl)-propylazanium chloride (PubChem CID 21393126) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is ethyl-bis(prop-2-enyl)-propylazanium chloride.

Molecular Properties

Compound Nameethyl-bis(prop-2-enyl)-propylazanium chloride
PubChem CID21393126
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Nameethyl-bis(prop-2-enyl)-propylazanium chloride
SMILESC=CC[N+](CC)(CC=C)CCC.[Cl-]
InChIInChI=1S/C11H22N.ClH/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-6H,1-2,7-11H2,3-4H3;1H/q+1;/p-1
InChIKeyRKUZWJIHSPAIAO-UHFFFAOYSA-M
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 5-0.39
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 chloride?
The IUPAC name of ethyl-bis(prop-2-enyl)-propylazanium chloride (CID 21393126) is ethyl-bis(prop-2-enyl)-propylazanium chloride.
What is the SMILES notation for ethyl-bis(prop-2-enyl)-propylazanium chloride?
The canonical SMILES for ethyl-bis(prop-2-enyl)-propylazanium chloride is C=CC[N+](CC)(CC=C)CCC.[Cl-].
What is the InChIKey of ethyl-bis(prop-2-enyl)-propylazanium chloride?
The InChIKey is RKUZWJIHSPAIAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22N.ClH/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-6H,1-2,7-11H2,3-4H3;1H/q+1;/p-1.
What are the key properties of ethyl-bis(prop-2-enyl)-propylazanium chloride?
ethyl-bis(prop-2-enyl)-propylazanium chloride has a molecular weight of 203.76 g/mol, XLogP of -0.39, 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 chloride is sourced from PubChem (CID 21393126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).