ethanolate;tetrapropylazanium

C14H33NO — CID 22408927

IUPACethanolate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.CC[O-]
InChIInChI=1S/C12H28N.C2H5O/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2-3/h5-12H2,1-4H3;2H2,1H3/q+1;-1
InChIKeyPHYUPPGDMDNUMZ-UHFFFAOYSA-N
MW231.42 g/mol
LogP2.81
Rot. Bonds8

About ethanolate;tetrapropylazanium

ethanolate;tetrapropylazanium (PubChem CID 22408927) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is ethanolate;tetrapropylazanium.

Molecular Properties

Compound Nameethanolate;tetrapropylazanium
PubChem CID22408927
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC Nameethanolate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.CC[O-]
InChIInChI=1S/C12H28N.C2H5O/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2-3/h5-12H2,1-4H3;2H2,1H3/q+1;-1
InChIKeyPHYUPPGDMDNUMZ-UHFFFAOYSA-N
XLogP2.81
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanolate;tetrapropylazanium?
The IUPAC name of ethanolate;tetrapropylazanium (CID 22408927) is ethanolate;tetrapropylazanium.
What is the SMILES notation for ethanolate;tetrapropylazanium?
The canonical SMILES for ethanolate;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.CC[O-].
What is the InChIKey of ethanolate;tetrapropylazanium?
The InChIKey is PHYUPPGDMDNUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.C2H5O/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2-3/h5-12H2,1-4H3;2H2,1H3/q+1;-1.
What are the key properties of ethanolate;tetrapropylazanium?
ethanolate;tetrapropylazanium has a molecular weight of 231.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;tetrapropylazanium is sourced from PubChem (CID 22408927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).