(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol

C9H17NO2 — CID 164654165

IUPAC(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@@H](C)C(O)C1=COCCC1
InChIInChI=1S/C9H17NO2/c1-7(10-2)9(11)8-4-3-5-12-6-8/h6-7,9-11H,3-5H2,1-2H3/t7-,9?/m0/s1
InChIKeyAEOIXERKOUTATG-JAVCKPHESA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds3

About (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol

(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol (PubChem CID 164654165) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol
PubChem CID164654165
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@@H](C)C(O)C1=COCCC1
InChIInChI=1S/C9H17NO2/c1-7(10-2)9(11)8-4-3-5-12-6-8/h6-7,9-11H,3-5H2,1-2H3/t7-,9?/m0/s1
InChIKeyAEOIXERKOUTATG-JAVCKPHESA-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 (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol (CID 164654165) is (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol is CN[C@@H](C)C(O)C1=COCCC1.
What is the InChIKey of (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol?
The InChIKey is AEOIXERKOUTATG-JAVCKPHESA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(10-2)9(11)8-4-3-5-12-6-8/h6-7,9-11H,3-5H2,1-2H3/t7-,9?/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol?
(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-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 (2S)-1-(3,4-dihydro-2H-pyran-5-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 164654165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).