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

C23H46N+ — CID 639901

IUPAChexadecyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H46N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(4,21-6-2)22-7-3/h6-7H,2-3,5,8-23H2,1,4H3/q+1
InChIKeyMSYWEIQGHYKBMW-UHFFFAOYSA-N
MW336.63 g/mol
LogP7.29
Rot. Bonds19

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

hexadecyl-methyl-bis(prop-2-enyl)azanium (PubChem CID 639901) has the molecular formula C23H46N+ and a molecular weight of 336.63 g/mol. Its IUPAC name is hexadecyl-methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namehexadecyl-methyl-bis(prop-2-enyl)azanium
PubChem CID639901
Molecular FormulaC23H46N+
Molecular Weight336.63 g/mol
Exact Mass336.36
IUPAC Namehexadecyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H46N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(4,21-6-2)22-7-3/h6-7H,2-3,5,8-23H2,1,4H3/q+1
InChIKeyMSYWEIQGHYKBMW-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.63
LogP ≤ 57.29
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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Related Compounds

methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
CID 174242463
bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium
CID 118721052
hexyl-dimethyl-prop-2-enylazanium
CID 123825197
bis(prop-2-enyl)-di(undecyl)azanium
CID 101038500
ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
CID 123622999
but-3-enyl-didecyl-methylazanium chloride
CID 87084250
dioctyl-bis(prop-2-enyl)azanium bromide
CID 19847234
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
dibutyl-octadecyl-prop-2-enylazanium
CID 87194444
decyl-heptyl-hexyl-methylazanium
CID 87904248
dihexyl-methyl-pentylazanium
CID 23534989
heptadecyl-dihexadecyl-methylazanium
CID 174998798

Frequently Asked Questions

What is the IUPAC name of hexadecyl-methyl-bis(prop-2-enyl)azanium?
The IUPAC name of hexadecyl-methyl-bis(prop-2-enyl)azanium (CID 639901) is hexadecyl-methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for hexadecyl-methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for hexadecyl-methyl-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CCCCCCCCCCCCCCCC.
What is the InChIKey of hexadecyl-methyl-bis(prop-2-enyl)azanium?
The InChIKey is MSYWEIQGHYKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(4,21-6-2)22-7-3/h6-7H,2-3,5,8-23H2,1,4H3/q+1.
What are the key properties of hexadecyl-methyl-bis(prop-2-enyl)azanium?
hexadecyl-methyl-bis(prop-2-enyl)azanium has a molecular weight of 336.63 g/mol, XLogP of 7.29, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 639901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).