azane;hexadecyl(trimethyl)azanium;hydroiodide

C19H46IN2+ — CID 174390577

IUPACazane;hexadecyl(trimethyl)azanium;hydroiodide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.I.N
InChIInChI=1S/C19H42N.HI.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-19H2,1-4H3;1H;1H3/q+1;;
InChIKeyQKJHQRCGQCBZNA-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.95
Rot. Bonds15

About azane;hexadecyl(trimethyl)azanium;hydroiodide

azane;hexadecyl(trimethyl)azanium;hydroiodide (PubChem CID 174390577) has the molecular formula C19H46IN2+ and a molecular weight of 429.50 g/mol. Its IUPAC name is azane;hexadecyl(trimethyl)azanium;hydroiodide.

Molecular Properties

Compound Nameazane;hexadecyl(trimethyl)azanium;hydroiodide
PubChem CID174390577
Molecular FormulaC19H46IN2+
Molecular Weight429.50 g/mol
Exact Mass429.27
IUPAC Nameazane;hexadecyl(trimethyl)azanium;hydroiodide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.I.N
InChIInChI=1S/C19H42N.HI.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-19H2,1-4H3;1H;1H3/q+1;;
InChIKeyQKJHQRCGQCBZNA-UHFFFAOYSA-N
XLogP6.95
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
azane;trimethyl(octyl)azanium;bromide
CID 175301747
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
azane;decyl(trimethyl)azanium;hydrate
CID 174762384
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
CID 174798074
icosyl(trimethyl)azanium hydroxide
CID 21324498
hexadecyl(trimethyl)azanium;propane
CID 174976794
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611

Frequently Asked Questions

What is the IUPAC name of azane;hexadecyl(trimethyl)azanium;hydroiodide?
The IUPAC name of azane;hexadecyl(trimethyl)azanium;hydroiodide (CID 174390577) is azane;hexadecyl(trimethyl)azanium;hydroiodide.
What is the SMILES notation for azane;hexadecyl(trimethyl)azanium;hydroiodide?
The canonical SMILES for azane;hexadecyl(trimethyl)azanium;hydroiodide is CCCCCCCCCCCCCCCC[N+](C)(C)C.I.N.
What is the InChIKey of azane;hexadecyl(trimethyl)azanium;hydroiodide?
The InChIKey is QKJHQRCGQCBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N.HI.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-19H2,1-4H3;1H;1H3/q+1;;.
What are the key properties of azane;hexadecyl(trimethyl)azanium;hydroiodide?
azane;hexadecyl(trimethyl)azanium;hydroiodide has a molecular weight of 429.50 g/mol, XLogP of 6.95, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexadecyl(trimethyl)azanium;hydroiodide is sourced from PubChem (CID 174390577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).