2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol

C9H17NO2 — CID 102648209

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)C1=CCCCO1
InChIInChI=1S/C9H17NO2/c1-9(11,7-10-2)8-5-3-4-6-12-8/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyINTOYWPFQGBPMZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol

2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol (PubChem CID 102648209) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol
PubChem CID102648209
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)C1=CCCCO1
InChIInChI=1S/C9H17NO2/c1-9(11,7-10-2)8-5-3-4-6-12-8/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyINTOYWPFQGBPMZ-UHFFFAOYSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol (CID 102648209) is 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol is CNCC(C)(O)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol?
The InChIKey is INTOYWPFQGBPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(11,7-10-2)8-5-3-4-6-12-8/h5,10-11H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol?
2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol has a molecular weight of 171.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 102648209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).