bis(ethenyl)-dipropylazanium

C10H20N+ — CID 23063026

IUPACbis(ethenyl)-dipropylazanium
SMILESC=C[N+](C=C)(CCC)CCC
InChIInChI=1S/C10H20N/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6,9-10H2,1-2H3/q+1
InChIKeyUBIGCRAPOZUIMY-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.91
Rot. Bonds6

About bis(ethenyl)-dipropylazanium

bis(ethenyl)-dipropylazanium (PubChem CID 23063026) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is bis(ethenyl)-dipropylazanium.

Molecular Properties

Compound Namebis(ethenyl)-dipropylazanium
PubChem CID23063026
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Namebis(ethenyl)-dipropylazanium
SMILESC=C[N+](C=C)(CCC)CCC
InChIInChI=1S/C10H20N/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6,9-10H2,1-2H3/q+1
InChIKeyUBIGCRAPOZUIMY-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.91
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?
The IUPAC name of bis(ethenyl)-dipropylazanium (CID 23063026) is bis(ethenyl)-dipropylazanium.
What is the SMILES notation for bis(ethenyl)-dipropylazanium?
The canonical SMILES for bis(ethenyl)-dipropylazanium is C=C[N+](C=C)(CCC)CCC.
What is the InChIKey of bis(ethenyl)-dipropylazanium?
The InChIKey is UBIGCRAPOZUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6,9-10H2,1-2H3/q+1.
What are the key properties of bis(ethenyl)-dipropylazanium?
bis(ethenyl)-dipropylazanium has a molecular weight of 154.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl)-dipropylazanium is sourced from PubChem (CID 23063026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).