5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol

C12H25NO2 — CID 166958860

IUPAC5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol
SMILESCCCC(C)C1OCC(C)(N)C(O)C1C
InChIInChI=1S/C12H25NO2/c1-5-6-8(2)10-9(3)11(14)12(4,13)7-15-10/h8-11,14H,5-7,13H2,1-4H3
InChIKeyZYFLJALMWLUVRZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.54
Rot. Bonds3

About 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol

5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol (PubChem CID 166958860) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol.

Molecular Properties

Compound Name5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol
PubChem CID166958860
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol
SMILESCCCC(C)C1OCC(C)(N)C(O)C1C
InChIInChI=1S/C12H25NO2/c1-5-6-8(2)10-9(3)11(14)12(4,13)7-15-10/h8-11,14H,5-7,13H2,1-4H3
InChIKeyZYFLJALMWLUVRZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol?
The IUPAC name of 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol (CID 166958860) is 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol.
What is the SMILES notation for 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol?
The canonical SMILES for 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol is CCCC(C)C1OCC(C)(N)C(O)C1C.
What is the InChIKey of 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol?
The InChIKey is ZYFLJALMWLUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-8(2)10-9(3)11(14)12(4,13)7-15-10/h8-11,14H,5-7,13H2,1-4H3.
What are the key properties of 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol?
5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,5-dimethyl-2-pentan-2-yloxan-4-ol is sourced from PubChem (CID 166958860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).