methyl-prop-1-enyl-di(tetradecyl)azanium

C32H66N+ — CID 172679866

IUPACmethyl-prop-1-enyl-di(tetradecyl)azanium
SMILESCC=C[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C32H66N/c1-5-8-10-12-14-16-18-20-22-24-26-28-31-33(4,30-7-3)32-29-27-25-23-21-19-17-15-13-11-9-6-2/h7,30H,5-6,8-29,31-32H2,1-4H3/q+1
InChIKeyXDNBHTVFAFFCNQ-UHFFFAOYSA-N
MW464.89 g/mol
LogP11.37
Rot. Bonds27

About methyl-prop-1-enyl-di(tetradecyl)azanium

methyl-prop-1-enyl-di(tetradecyl)azanium (PubChem CID 172679866) has the molecular formula C32H66N+ and a molecular weight of 464.89 g/mol. Its IUPAC name is methyl-prop-1-enyl-di(tetradecyl)azanium.

Molecular Properties

Compound Namemethyl-prop-1-enyl-di(tetradecyl)azanium
PubChem CID172679866
Molecular FormulaC32H66N+
Molecular Weight464.89 g/mol
Exact Mass464.52
IUPAC Namemethyl-prop-1-enyl-di(tetradecyl)azanium
SMILESCC=C[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C32H66N/c1-5-8-10-12-14-16-18-20-22-24-26-28-31-33(4,30-7-3)32-29-27-25-23-21-19-17-15-13-11-9-6-2/h7,30H,5-6,8-29,31-32H2,1-4H3/q+1
InChIKeyXDNBHTVFAFFCNQ-UHFFFAOYSA-N
XLogP11.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.89
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-octadecyl-prop-1-enylazanium chloride
CID 141266493
ethyl-methyl-prop-1-enyl-propylazanium
CID 175061205
azanium;dimethyl-di(tetradecyl)azanium;dibromide
CID 172853989
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
dodecyl-dimethyl-undecylazanium
CID 21491028
trimethyl(tetradecyl)azanium
CID 14251
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptadecyl-dihexadecyl-methylazanium
CID 174998798
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969

Frequently Asked Questions

What is the IUPAC name of methyl-prop-1-enyl-di(tetradecyl)azanium?
The IUPAC name of methyl-prop-1-enyl-di(tetradecyl)azanium (CID 172679866) is methyl-prop-1-enyl-di(tetradecyl)azanium.
What is the SMILES notation for methyl-prop-1-enyl-di(tetradecyl)azanium?
The canonical SMILES for methyl-prop-1-enyl-di(tetradecyl)azanium is CC=C[N+](C)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of methyl-prop-1-enyl-di(tetradecyl)azanium?
The InChIKey is XDNBHTVFAFFCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N/c1-5-8-10-12-14-16-18-20-22-24-26-28-31-33(4,30-7-3)32-29-27-25-23-21-19-17-15-13-11-9-6-2/h7,30H,5-6,8-29,31-32H2,1-4H3/q+1.
What are the key properties of methyl-prop-1-enyl-di(tetradecyl)azanium?
methyl-prop-1-enyl-di(tetradecyl)azanium has a molecular weight of 464.89 g/mol, XLogP of 11.37, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-prop-1-enyl-di(tetradecyl)azanium is sourced from PubChem (CID 172679866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).