5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol

C11H23NO2 — CID 155330623

IUPAC5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol
SMILESCCC(C)C1OCC(C)(N)C(O)C1C
InChIInChI=1S/C11H23NO2/c1-5-7(2)9-8(3)10(13)11(4,12)6-14-9/h7-10,13H,5-6,12H2,1-4H3
InChIKeyFTRZHSULXJHRAA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.15
Rot. Bonds2

About 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol

5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol (PubChem CID 155330623) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol
PubChem CID155330623
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol
SMILESCCC(C)C1OCC(C)(N)C(O)C1C
InChIInChI=1S/C11H23NO2/c1-5-7(2)9-8(3)10(13)11(4,12)6-14-9/h7-10,13H,5-6,12H2,1-4H3
InChIKeyFTRZHSULXJHRAA-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol?
The IUPAC name of 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol (CID 155330623) is 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol.
What is the SMILES notation for 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol?
The canonical SMILES for 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol is CCC(C)C1OCC(C)(N)C(O)C1C.
What is the InChIKey of 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol?
The InChIKey is FTRZHSULXJHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7(2)9-8(3)10(13)11(4,12)6-14-9/h7-10,13H,5-6,12H2,1-4H3.
What are the key properties of 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol?
5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butan-2-yl-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 155330623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).