[bis(hydroxymethyl)amino]methanol;methane

C7H25NO3 — CID 157265588

IUPAC[bis(hydroxymethyl)amino]methanol;methane
SMILESC.C.C.C.OCN(CO)CO
InChIInChI=1S/C3H9NO3.4CH4/c5-1-4(2-6)3-7;;;;/h5-7H,1-3H2;4*1H4
InChIKeyAXYMXOSWEBWMAE-UHFFFAOYSA-N
MW171.28 g/mol
LogP0.68
Rot. Bonds3

About [bis(hydroxymethyl)amino]methanol;methane

[bis(hydroxymethyl)amino]methanol;methane (PubChem CID 157265588) has the molecular formula C7H25NO3 and a molecular weight of 171.28 g/mol. Its IUPAC name is [bis(hydroxymethyl)amino]methanol;methane.

Molecular Properties

Compound Name[bis(hydroxymethyl)amino]methanol;methane
PubChem CID157265588
Molecular FormulaC7H25NO3
Molecular Weight171.28 g/mol
Exact Mass171.18
IUPAC Name[bis(hydroxymethyl)amino]methanol;methane
SMILESC.C.C.C.OCN(CO)CO
InChIInChI=1S/C3H9NO3.4CH4/c5-1-4(2-6)3-7;;;;/h5-7H,1-3H2;4*1H4
InChIKeyAXYMXOSWEBWMAE-UHFFFAOYSA-N
XLogP0.68
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
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(hydroxymethyl)amino]methanol;methane?
The IUPAC name of [bis(hydroxymethyl)amino]methanol;methane (CID 157265588) is [bis(hydroxymethyl)amino]methanol;methane.
What is the SMILES notation for [bis(hydroxymethyl)amino]methanol;methane?
The canonical SMILES for [bis(hydroxymethyl)amino]methanol;methane is C.C.C.C.OCN(CO)CO.
What is the InChIKey of [bis(hydroxymethyl)amino]methanol;methane?
The InChIKey is AXYMXOSWEBWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.4CH4/c5-1-4(2-6)3-7;;;;/h5-7H,1-3H2;4*1H4.
What are the key properties of [bis(hydroxymethyl)amino]methanol;methane?
[bis(hydroxymethyl)amino]methanol;methane has a molecular weight of 171.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(hydroxymethyl)amino]methanol;methane is sourced from PubChem (CID 157265588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).