[bis(methoxymethyl)amino]methanol

C5H13NO3 — CID 147573198

IUPAC[bis(methoxymethyl)amino]methanol
SMILESCOCN(CO)COC
InChIInChI=1S/C5H13NO3/c1-8-4-6(3-7)5-9-2/h7H,3-5H2,1-2H3
InChIKeyTXHGRGNTAJVORO-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.55
Rot. Bonds5

About [bis(methoxymethyl)amino]methanol

[bis(methoxymethyl)amino]methanol (PubChem CID 147573198) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is [bis(methoxymethyl)amino]methanol.

Molecular Properties

Compound Name[bis(methoxymethyl)amino]methanol
PubChem CID147573198
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name[bis(methoxymethyl)amino]methanol
SMILESCOCN(CO)COC
InChIInChI=1S/C5H13NO3/c1-8-4-6(3-7)5-9-2/h7H,3-5H2,1-2H3
InChIKeyTXHGRGNTAJVORO-UHFFFAOYSA-N
XLogP-0.55
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(methoxymethyl)amino]methanol?
The IUPAC name of [bis(methoxymethyl)amino]methanol (CID 147573198) is [bis(methoxymethyl)amino]methanol.
What is the SMILES notation for [bis(methoxymethyl)amino]methanol?
The canonical SMILES for [bis(methoxymethyl)amino]methanol is COCN(CO)COC.
What is the InChIKey of [bis(methoxymethyl)amino]methanol?
The InChIKey is TXHGRGNTAJVORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-8-4-6(3-7)5-9-2/h7H,3-5H2,1-2H3.
What are the key properties of [bis(methoxymethyl)amino]methanol?
[bis(methoxymethyl)amino]methanol has a molecular weight of 135.16 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(methoxymethyl)amino]methanol is sourced from PubChem (CID 147573198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).