hexadecyl(trimethyl)azanium;pentane

C24H54N+ — CID 88632399

IUPAChexadecyl(trimethyl)azanium;pentane
SMILESCCCCC.CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C19H42N.C5H12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3-5-4-2/h5-19H2,1-4H3;3-5H2,1-2H3/q+1;
InChIKeyIOVKVSCVRVXHRU-UHFFFAOYSA-N
MW356.70 g/mol
LogP8.37
Rot. Bonds17

About hexadecyl(trimethyl)azanium;pentane

hexadecyl(trimethyl)azanium;pentane (PubChem CID 88632399) has the molecular formula C24H54N+ and a molecular weight of 356.70 g/mol. Its IUPAC name is hexadecyl(trimethyl)azanium;pentane.

Molecular Properties

Compound Namehexadecyl(trimethyl)azanium;pentane
PubChem CID88632399
Molecular FormulaC24H54N+
Molecular Weight356.70 g/mol
Exact Mass356.43
IUPAC Namehexadecyl(trimethyl)azanium;pentane
SMILESCCCCC.CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C19H42N.C5H12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3-5-4-2/h5-19H2,1-4H3;3-5H2,1-2H3/q+1;
InChIKeyIOVKVSCVRVXHRU-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 58.37
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

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354

Frequently Asked Questions

What is the IUPAC name of hexadecyl(trimethyl)azanium;pentane?
The IUPAC name of hexadecyl(trimethyl)azanium;pentane (CID 88632399) is hexadecyl(trimethyl)azanium;pentane.
What is the SMILES notation for hexadecyl(trimethyl)azanium;pentane?
The canonical SMILES for hexadecyl(trimethyl)azanium;pentane is CCCCC.CCCCCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of hexadecyl(trimethyl)azanium;pentane?
The InChIKey is IOVKVSCVRVXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N.C5H12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3-5-4-2/h5-19H2,1-4H3;3-5H2,1-2H3/q+1;.
What are the key properties of hexadecyl(trimethyl)azanium;pentane?
hexadecyl(trimethyl)azanium;pentane has a molecular weight of 356.70 g/mol, XLogP of 8.37, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(trimethyl)azanium;pentane is sourced from PubChem (CID 88632399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).