azane;decyl(trimethyl)azanium;hydrate

C13H35N2O+ — CID 174762384

IUPACazane;decyl(trimethyl)azanium;hydrate
SMILESCCCCCCCCCC[N+](C)(C)C.N.O
InChIInChI=1S/C13H30N.H3N.H2O/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;;/h5-13H2,1-4H3;1H3;1H2/q+1;;
InChIKeyINWDFDYORPMFRP-UHFFFAOYSA-N
MW235.44 g/mol
LogP3.17
Rot. Bonds9

About azane;decyl(trimethyl)azanium;hydrate

azane;decyl(trimethyl)azanium;hydrate (PubChem CID 174762384) has the molecular formula C13H35N2O+ and a molecular weight of 235.44 g/mol. Its IUPAC name is azane;decyl(trimethyl)azanium;hydrate.

Molecular Properties

Compound Nameazane;decyl(trimethyl)azanium;hydrate
PubChem CID174762384
Molecular FormulaC13H35N2O+
Molecular Weight235.44 g/mol
Exact Mass235.27
IUPAC Nameazane;decyl(trimethyl)azanium;hydrate
SMILESCCCCCCCCCC[N+](C)(C)C.N.O
InChIInChI=1S/C13H30N.H3N.H2O/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;;/h5-13H2,1-4H3;1H3;1H2/q+1;;
InChIKeyINWDFDYORPMFRP-UHFFFAOYSA-N
XLogP3.17
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.44
LogP ≤ 53.17
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

azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
azane;trimethyl(octyl)azanium;bromide
CID 175301747
azane;hexadecyl(trimethyl)azanium;hydroiodide
CID 174390577
hexadecyl(trimethyl)azanium;chloride;hydrate
CID 87398885
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
CID 174798074
azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
trimethyl(octyl)azanium;trihydrobromide
CID 173358284

Frequently Asked Questions

What is the IUPAC name of azane;decyl(trimethyl)azanium;hydrate?
The IUPAC name of azane;decyl(trimethyl)azanium;hydrate (CID 174762384) is azane;decyl(trimethyl)azanium;hydrate.
What is the SMILES notation for azane;decyl(trimethyl)azanium;hydrate?
The canonical SMILES for azane;decyl(trimethyl)azanium;hydrate is CCCCCCCCCC[N+](C)(C)C.N.O.
What is the InChIKey of azane;decyl(trimethyl)azanium;hydrate?
The InChIKey is INWDFDYORPMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N.H3N.H2O/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;;/h5-13H2,1-4H3;1H3;1H2/q+1;;.
What are the key properties of azane;decyl(trimethyl)azanium;hydrate?
azane;decyl(trimethyl)azanium;hydrate has a molecular weight of 235.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;decyl(trimethyl)azanium;hydrate is sourced from PubChem (CID 174762384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).