4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol

C9H21NO2 — CID 62773731

IUPAC4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol
SMILESCOCCC(C)(O)CNC(C)C
InChIInChI=1S/C9H21NO2/c1-8(2)10-7-9(3,11)5-6-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyDAAVTOBXCRTWAY-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol

4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol (PubChem CID 62773731) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol
PubChem CID62773731
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol
SMILESCOCCC(C)(O)CNC(C)C
InChIInChI=1S/C9H21NO2/c1-8(2)10-7-9(3,11)5-6-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyDAAVTOBXCRTWAY-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol (CID 62773731) is 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol is COCCC(C)(O)CNC(C)C.
What is the InChIKey of 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol?
The InChIKey is DAAVTOBXCRTWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2)10-7-9(3,11)5-6-12-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol?
4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 62773731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).