azane;trimethyl(tridecyl)azanium;chloride

C16H39ClN2 — CID 174706347

IUPACazane;trimethyl(tridecyl)azanium;chloride
SMILESCCCCCCCCCCCCC[N+](C)(C)C.N.[Cl-]
InChIInChI=1S/C16H36N.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4;;/h5-16H2,1-4H3;1H;1H3/q+1;;/p-1
InChIKeyHVFVLBQEAWUBRD-UHFFFAOYSA-M
MW294.96 g/mol
LogP2.17
Rot. Bonds12

About azane;trimethyl(tridecyl)azanium;chloride

azane;trimethyl(tridecyl)azanium;chloride (PubChem CID 174706347) has the molecular formula C16H39ClN2 and a molecular weight of 294.96 g/mol. Its IUPAC name is azane;trimethyl(tridecyl)azanium;chloride.

Molecular Properties

Compound Nameazane;trimethyl(tridecyl)azanium;chloride
PubChem CID174706347
Molecular FormulaC16H39ClN2
Molecular Weight294.96 g/mol
Exact Mass294.28
IUPAC Nameazane;trimethyl(tridecyl)azanium;chloride
SMILESCCCCCCCCCCCCC[N+](C)(C)C.N.[Cl-]
InChIInChI=1S/C16H36N.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4;;/h5-16H2,1-4H3;1H;1H3/q+1;;/p-1
InChIKeyHVFVLBQEAWUBRD-UHFFFAOYSA-M
XLogP2.17
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
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
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
trimethyl(octyl)azanium chloride
CID 24949
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
azane;decyl(trimethyl)azanium;hydrate
CID 174762384
azane;trimethyl(octyl)azanium;bromide
CID 175301747
dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl(tridecyl)azanium;chloride?
The IUPAC name of azane;trimethyl(tridecyl)azanium;chloride (CID 174706347) is azane;trimethyl(tridecyl)azanium;chloride.
What is the SMILES notation for azane;trimethyl(tridecyl)azanium;chloride?
The canonical SMILES for azane;trimethyl(tridecyl)azanium;chloride is CCCCCCCCCCCCC[N+](C)(C)C.N.[Cl-].
What is the InChIKey of azane;trimethyl(tridecyl)azanium;chloride?
The InChIKey is HVFVLBQEAWUBRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4;;/h5-16H2,1-4H3;1H;1H3/q+1;;/p-1.
What are the key properties of azane;trimethyl(tridecyl)azanium;chloride?
azane;trimethyl(tridecyl)azanium;chloride has a molecular weight of 294.96 g/mol, XLogP of 2.17, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl(tridecyl)azanium;chloride is sourced from PubChem (CID 174706347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).