azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride

C17H43BrClN2+ — CID 174798074

IUPACazane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
SMILESBr.CCCCCCCCCCCCCC[N+](C)(C)C.Cl.N
InChIInChI=1S/C17H38N.BrH.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;;;/h5-17H2,1-4H3;2*1H;1H3/q+1;;;
InChIKeyKGIHAABPPKHEKG-UHFFFAOYSA-N
MW390.90 g/mol
LogP6.56
Rot. Bonds13

About azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride

azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride (PubChem CID 174798074) has the molecular formula C17H43BrClN2+ and a molecular weight of 390.90 g/mol. Its IUPAC name is azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride.

Molecular Properties

Compound Nameazane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
PubChem CID174798074
Molecular FormulaC17H43BrClN2+
Molecular Weight390.90 g/mol
Exact Mass389.23
IUPAC Nameazane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
SMILESBr.CCCCCCCCCCCCCC[N+](C)(C)C.Cl.N
InChIInChI=1S/C17H38N.BrH.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;;;/h5-17H2,1-4H3;2*1H;1H3/q+1;;;
InChIKeyKGIHAABPPKHEKG-UHFFFAOYSA-N
XLogP6.56
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 56.56
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

azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
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
sodium;hexadecyl(trimethyl)azanium;hydrochloride
CID 173057421
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
azane;hexadecyl(trimethyl)azanium;hydroiodide
CID 174390577
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(tetradecyl)azanium
CID 14251

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride?
The IUPAC name of azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride (CID 174798074) is azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride.
What is the SMILES notation for azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride?
The canonical SMILES for azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride is Br.CCCCCCCCCCCCCC[N+](C)(C)C.Cl.N.
What is the InChIKey of azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride?
The InChIKey is KGIHAABPPKHEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N.BrH.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;;;/h5-17H2,1-4H3;2*1H;1H3/q+1;;;.
What are the key properties of azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride?
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride has a molecular weight of 390.90 g/mol, XLogP of 6.56, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride is sourced from PubChem (CID 174798074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).