acetic acid;triethoxymethanamine

C9H21NO5 — CID 175078602

IUPACacetic acid;triethoxymethanamine
SMILESCC(=O)O.CCOC(N)(OCC)OCC
InChIInChI=1S/C7H17NO3.C2H4O2/c1-4-9-7(8,10-5-2)11-6-3;1-2(3)4/h4-6,8H2,1-3H3;1H3,(H,3,4)
InChIKeyWQQLTRXFTPTZAR-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.76
Rot. Bonds6

About acetic acid;triethoxymethanamine

acetic acid;triethoxymethanamine (PubChem CID 175078602) has the molecular formula C9H21NO5 and a molecular weight of 223.27 g/mol. Its IUPAC name is acetic acid;triethoxymethanamine.

Molecular Properties

Compound Nameacetic acid;triethoxymethanamine
PubChem CID175078602
Molecular FormulaC9H21NO5
Molecular Weight223.27 g/mol
Exact Mass223.14
IUPAC Nameacetic acid;triethoxymethanamine
SMILESCC(=O)O.CCOC(N)(OCC)OCC
InChIInChI=1S/C7H17NO3.C2H4O2/c1-4-9-7(8,10-5-2)11-6-3;1-2(3)4/h4-6,8H2,1-3H3;1H3,(H,3,4)
InChIKeyWQQLTRXFTPTZAR-UHFFFAOYSA-N
XLogP0.76
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1,1,1-triethoxyethane
CID 90101940
acetic acid;ethyl carbamate
CID 157349378
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;ethyl acetate;hydroiodide
CID 174390773
sodium;acetic acid;boranuide;ethyl acetate
CID 174143954
acetic acid;ruthenium
CID 175502908
acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
acetic acid;ethyl acetate;methanol;hydrate
CID 22501395
acetic acid;2-(1,1-diaminoethoxy)ethanol
CID 173101574
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
2,2-dichloro-2-ethoxyacetic acid
CID 87516880
2-ethoxy-2-hydroxypropanediamide
CID 45122517

Frequently Asked Questions

What is the IUPAC name of acetic acid;triethoxymethanamine?
The IUPAC name of acetic acid;triethoxymethanamine (CID 175078602) is acetic acid;triethoxymethanamine.
What is the SMILES notation for acetic acid;triethoxymethanamine?
The canonical SMILES for acetic acid;triethoxymethanamine is CC(=O)O.CCOC(N)(OCC)OCC.
What is the InChIKey of acetic acid;triethoxymethanamine?
The InChIKey is WQQLTRXFTPTZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3.C2H4O2/c1-4-9-7(8,10-5-2)11-6-3;1-2(3)4/h4-6,8H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;triethoxymethanamine?
acetic acid;triethoxymethanamine has a molecular weight of 223.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;triethoxymethanamine is sourced from PubChem (CID 175078602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).