2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol

C8H19NO2 — CID 153090500

IUPAC2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol
SMILESCNC(C)OCCC(C)(C)O
InChIInChI=1S/C8H19NO2/c1-7(9-4)11-6-5-8(2,3)10/h7,9-10H,5-6H2,1-4H3
InChIKeyVPBOXPJBTJLJHZ-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.73
Rot. Bonds5

About 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol

2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol (PubChem CID 153090500) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol
PubChem CID153090500
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol
SMILESCNC(C)OCCC(C)(C)O
InChIInChI=1S/C8H19NO2/c1-7(9-4)11-6-5-8(2,3)10/h7,9-10H,5-6H2,1-4H3
InChIKeyVPBOXPJBTJLJHZ-UHFFFAOYSA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol (CID 153090500) is 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol is CNC(C)OCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol?
The InChIKey is VPBOXPJBTJLJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(9-4)11-6-5-8(2,3)10/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol?
2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol has a molecular weight of 161.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol is sourced from PubChem (CID 153090500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).