morpholine;tetrabutylazanium

C20H45N2O+ — CID 174955494

IUPACmorpholine;tetrabutylazanium
SMILESC1COCCN1.CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C4H9NO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-6-4-2-5-1/h5-16H2,1-4H3;5H,1-4H2/q+1;
InChIKeyFXBPKMDVNNMLQT-UHFFFAOYSA-N
MW329.59 g/mol
LogP4.61
Rot. Bonds12

About morpholine;tetrabutylazanium

morpholine;tetrabutylazanium (PubChem CID 174955494) has the molecular formula C20H45N2O+ and a molecular weight of 329.59 g/mol. Its IUPAC name is morpholine;tetrabutylazanium.

Molecular Properties

Compound Namemorpholine;tetrabutylazanium
PubChem CID174955494
Molecular FormulaC20H45N2O+
Molecular Weight329.59 g/mol
Exact Mass329.35
IUPAC Namemorpholine;tetrabutylazanium
SMILESC1COCCN1.CCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36N.C4H9NO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-6-4-2-5-1/h5-16H2,1-4H3;5H,1-4H2/q+1;
InChIKeyFXBPKMDVNNMLQT-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxolane;tetrabutylazanium
CID 159740735
decan-1-amine;morpholine
CID 174736871
1-bromotridecane;morpholine
CID 174895242
morpholine;sulfane
CID 70348588
2-bromotridecane;morpholine
CID 70520110
ethane;morpholine
CID 91516807
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
morpholine;piperidine;propane
CID 144636316
dibutyl(diheptyl)azanium
CID 87534229

Frequently Asked Questions

What is the IUPAC name of morpholine;tetrabutylazanium?
The IUPAC name of morpholine;tetrabutylazanium (CID 174955494) is morpholine;tetrabutylazanium.
What is the SMILES notation for morpholine;tetrabutylazanium?
The canonical SMILES for morpholine;tetrabutylazanium is C1COCCN1.CCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of morpholine;tetrabutylazanium?
The InChIKey is FXBPKMDVNNMLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C4H9NO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-6-4-2-5-1/h5-16H2,1-4H3;5H,1-4H2/q+1;.
What are the key properties of morpholine;tetrabutylazanium?
morpholine;tetrabutylazanium has a molecular weight of 329.59 g/mol, XLogP of 4.61, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;tetrabutylazanium is sourced from PubChem (CID 174955494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).