3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol

C11H25NO3 — CID 106676531

IUPAC3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol
SMILESCOC(C)(C)CC(CN)OC(C)C(C)O
InChIInChI=1S/C11H25NO3/c1-8(13)9(2)15-10(7-12)6-11(3,4)14-5/h8-10,13H,6-7,12H2,1-5H3
InChIKeyOSGAFTLOLJPKGD-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.91
Rot. Bonds7

About 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol

3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol (PubChem CID 106676531) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol
PubChem CID106676531
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol
SMILESCOC(C)(C)CC(CN)OC(C)C(C)O
InChIInChI=1S/C11H25NO3/c1-8(13)9(2)15-10(7-12)6-11(3,4)14-5/h8-10,13H,6-7,12H2,1-5H3
InChIKeyOSGAFTLOLJPKGD-UHFFFAOYSA-N
XLogP0.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol?
The IUPAC name of 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol (CID 106676531) is 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol?
The canonical SMILES for 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol is COC(C)(C)CC(CN)OC(C)C(C)O.
What is the InChIKey of 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol?
The InChIKey is OSGAFTLOLJPKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-8(13)9(2)15-10(7-12)6-11(3,4)14-5/h8-10,13H,6-7,12H2,1-5H3.
What are the key properties of 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol?
3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 106676531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).