[2-(2-methylpropoxymethylamino)ethylamino]methanol

C8H20N2O2 — CID 88535301

IUPAC[2-(2-methylpropoxymethylamino)ethylamino]methanol
SMILESCC(C)COCNCCNCO
InChIInChI=1S/C8H20N2O2/c1-8(2)5-12-7-10-4-3-9-6-11/h8-11H,3-7H2,1-2H3
InChIKeyUMRRAQQRXIVAID-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.25
Rot. Bonds8

About [2-(2-methylpropoxymethylamino)ethylamino]methanol

[2-(2-methylpropoxymethylamino)ethylamino]methanol (PubChem CID 88535301) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is [2-(2-methylpropoxymethylamino)ethylamino]methanol.

Molecular Properties

Compound Name[2-(2-methylpropoxymethylamino)ethylamino]methanol
PubChem CID88535301
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name[2-(2-methylpropoxymethylamino)ethylamino]methanol
SMILESCC(C)COCNCCNCO
InChIInChI=1S/C8H20N2O2/c1-8(2)5-12-7-10-4-3-9-6-11/h8-11H,3-7H2,1-2H3
InChIKeyUMRRAQQRXIVAID-UHFFFAOYSA-N
XLogP-0.25
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropoxymethylamino)ethylamino]methanol?
The IUPAC name of [2-(2-methylpropoxymethylamino)ethylamino]methanol (CID 88535301) is [2-(2-methylpropoxymethylamino)ethylamino]methanol.
What is the SMILES notation for [2-(2-methylpropoxymethylamino)ethylamino]methanol?
The canonical SMILES for [2-(2-methylpropoxymethylamino)ethylamino]methanol is CC(C)COCNCCNCO.
What is the InChIKey of [2-(2-methylpropoxymethylamino)ethylamino]methanol?
The InChIKey is UMRRAQQRXIVAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-8(2)5-12-7-10-4-3-9-6-11/h8-11H,3-7H2,1-2H3.
What are the key properties of [2-(2-methylpropoxymethylamino)ethylamino]methanol?
[2-(2-methylpropoxymethylamino)ethylamino]methanol has a molecular weight of 176.26 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropoxymethylamino)ethylamino]methanol is sourced from PubChem (CID 88535301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).