2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol

C12H25NO2 — CID 65234437

IUPAC2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
SMILESCCCNC1(CCO)CCOC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-4-7-13-12(5-8-14)6-9-15-11(2,3)10-12/h13-14H,4-10H2,1-3H3
InChIKeyQIIHDALHMYLKHF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.70
Rot. Bonds5

About 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol

2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol (PubChem CID 65234437) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
PubChem CID65234437
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
SMILESCCCNC1(CCO)CCOC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-4-7-13-12(5-8-14)6-9-15-11(2,3)10-12/h13-14H,4-10H2,1-3H3
InChIKeyQIIHDALHMYLKHF-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol (CID 65234437) is 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol is CCCNC1(CCO)CCOC(C)(C)C1.
What is the InChIKey of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
The InChIKey is QIIHDALHMYLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-13-12(5-8-14)6-9-15-11(2,3)10-12/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol?
2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol is sourced from PubChem (CID 65234437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).