bis(ethenyl)-dipropylazanium chloride

C10H20ClN — CID 23063025

IUPACbis(ethenyl)-dipropylazanium chloride
SMILESC=C[N+](C=C)(CCC)CCC.[Cl-]
InChIInChI=1S/C10H20N.ClH/c1-5-9-11(7-3,8-4)10-6-2;/h7-8H,3-6,9-10H2,1-2H3;1H/q+1;/p-1
InChIKeyNJCXJOHZAIEDTO-UHFFFAOYSA-M
MW189.73 g/mol
LogP-0.09
Rot. Bonds6

About bis(ethenyl)-dipropylazanium chloride

bis(ethenyl)-dipropylazanium chloride (PubChem CID 23063025) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is bis(ethenyl)-dipropylazanium chloride.

Molecular Properties

Compound Namebis(ethenyl)-dipropylazanium chloride
PubChem CID23063025
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Namebis(ethenyl)-dipropylazanium chloride
SMILESC=C[N+](C=C)(CCC)CCC.[Cl-]
InChIInChI=1S/C10H20N.ClH/c1-5-9-11(7-3,8-4)10-6-2;/h7-8H,3-6,9-10H2,1-2H3;1H/q+1;/p-1
InChIKeyNJCXJOHZAIEDTO-UHFFFAOYSA-M
XLogP-0.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethenyl)-dipropylazanium chloride?
The IUPAC name of bis(ethenyl)-dipropylazanium chloride (CID 23063025) is bis(ethenyl)-dipropylazanium chloride.
What is the SMILES notation for bis(ethenyl)-dipropylazanium chloride?
The canonical SMILES for bis(ethenyl)-dipropylazanium chloride is C=C[N+](C=C)(CCC)CCC.[Cl-].
What is the InChIKey of bis(ethenyl)-dipropylazanium chloride?
The InChIKey is NJCXJOHZAIEDTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N.ClH/c1-5-9-11(7-3,8-4)10-6-2;/h7-8H,3-6,9-10H2,1-2H3;1H/q+1;/p-1.
What are the key properties of bis(ethenyl)-dipropylazanium chloride?
bis(ethenyl)-dipropylazanium chloride has a molecular weight of 189.73 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl)-dipropylazanium chloride is sourced from PubChem (CID 23063025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).