dodecyl-methyl-bis(prop-2-enyl)azanium

C19H38N+ — CID 10642265

IUPACdodecyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C19H38N/c1-5-8-9-10-11-12-13-14-15-16-19-20(4,17-6-2)18-7-3/h6-7H,2-3,5,8-19H2,1,4H3/q+1
InChIKeyXODGXHBUNWQYGF-UHFFFAOYSA-N
MW280.52 g/mol
LogP5.73
Rot. Bonds15

About dodecyl-methyl-bis(prop-2-enyl)azanium

dodecyl-methyl-bis(prop-2-enyl)azanium (PubChem CID 10642265) has the molecular formula C19H38N+ and a molecular weight of 280.52 g/mol. Its IUPAC name is dodecyl-methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namedodecyl-methyl-bis(prop-2-enyl)azanium
PubChem CID10642265
Molecular FormulaC19H38N+
Molecular Weight280.52 g/mol
Exact Mass280.30
IUPAC Namedodecyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C19H38N/c1-5-8-9-10-11-12-13-14-15-16-19-20(4,17-6-2)18-7-3/h6-7H,2-3,5,8-19H2,1,4H3/q+1
InChIKeyXODGXHBUNWQYGF-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dodecyl-methyl-bis(prop-2-enyl)azanium?
The IUPAC name of dodecyl-methyl-bis(prop-2-enyl)azanium (CID 10642265) is dodecyl-methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for dodecyl-methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for dodecyl-methyl-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-methyl-bis(prop-2-enyl)azanium?
The InChIKey is XODGXHBUNWQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N/c1-5-8-9-10-11-12-13-14-15-16-19-20(4,17-6-2)18-7-3/h6-7H,2-3,5,8-19H2,1,4H3/q+1.
What are the key properties of dodecyl-methyl-bis(prop-2-enyl)azanium?
dodecyl-methyl-bis(prop-2-enyl)azanium has a molecular weight of 280.52 g/mol, XLogP of 5.73, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 10642265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).