[hydroxymethyl(methoxymethyl)amino]methanol;methane

C8H27NO3 — CID 159798824

IUPAC[hydroxymethyl(methoxymethyl)amino]methanol;methane
SMILESC.C.C.C.COCN(CO)CO
InChIInChI=1S/C4H11NO3.4CH4/c1-8-4-5(2-6)3-7;;;;/h6-7H,2-4H2,1H3;4*1H4
InChIKeyNJNCXNUNJNQPTN-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.34
Rot. Bonds4

About [hydroxymethyl(methoxymethyl)amino]methanol;methane

[hydroxymethyl(methoxymethyl)amino]methanol;methane (PubChem CID 159798824) has the molecular formula C8H27NO3 and a molecular weight of 185.31 g/mol. Its IUPAC name is [hydroxymethyl(methoxymethyl)amino]methanol;methane.

Molecular Properties

Compound Name[hydroxymethyl(methoxymethyl)amino]methanol;methane
PubChem CID159798824
Molecular FormulaC8H27NO3
Molecular Weight185.31 g/mol
Exact Mass185.20
IUPAC Name[hydroxymethyl(methoxymethyl)amino]methanol;methane
SMILESC.C.C.C.COCN(CO)CO
InChIInChI=1S/C4H11NO3.4CH4/c1-8-4-5(2-6)3-7;;;;/h6-7H,2-4H2,1H3;4*1H4
InChIKeyNJNCXNUNJNQPTN-UHFFFAOYSA-N
XLogP1.34
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tris(hydroxymethyl)methylammonium
CID 4468930
Methanol;tetramethylazanium
CID 138395754
Hydroxymethyl(trimethyl)azanium hydroxide
CID 15559305
Bis(hydroxymethyl)-dimethylazanium
CID 18715983
[Bis(hydroxymethyl)amino]methanol;methane
CID 19070390
Tetramethylammonium hydroxide methanol
CID 19757443
[Methoxymethyl(methyl)amino]methanol
CID 21131219
Bis(hydroxymethyl)-dimethylazanium hydroxide
CID 21313544
Hydroxymethyl-bis(methoxymethyl)-methylazanium
CID 54305886
[Hydroxymethyl(methoxymethyl)amino]methanol
CID 126705452
[Bis(methoxymethyl)amino]methanol
CID 147573198
[Bis(hydroxymethyl)amino]methanol;methane
CID 157265588

Frequently Asked Questions

What is the IUPAC name of [hydroxymethyl(methoxymethyl)amino]methanol;methane?
The IUPAC name of [hydroxymethyl(methoxymethyl)amino]methanol;methane (CID 159798824) is [hydroxymethyl(methoxymethyl)amino]methanol;methane.
What is the SMILES notation for [hydroxymethyl(methoxymethyl)amino]methanol;methane?
The canonical SMILES for [hydroxymethyl(methoxymethyl)amino]methanol;methane is C.C.C.C.COCN(CO)CO.
What is the InChIKey of [hydroxymethyl(methoxymethyl)amino]methanol;methane?
The InChIKey is NJNCXNUNJNQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.4CH4/c1-8-4-5(2-6)3-7;;;;/h6-7H,2-4H2,1H3;4*1H4.
What are the key properties of [hydroxymethyl(methoxymethyl)amino]methanol;methane?
[hydroxymethyl(methoxymethyl)amino]methanol;methane has a molecular weight of 185.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl(methoxymethyl)amino]methanol;methane is sourced from PubChem (CID 159798824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).