2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol

C10H19NO3 — CID 71248203

IUPAC2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol
SMILESCO[C@H]1O[C@H](CNCCO)C=CC1C
InChIInChI=1S/C10H19NO3/c1-8-3-4-9(7-11-5-6-12)14-10(8)13-2/h3-4,8-12H,5-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyPDWKGPKYFGODAY-AGROOBSYSA-N
MW201.27 g/mol
LogP0.13
Rot. Bonds5

About 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol

2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol (PubChem CID 71248203) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol
PubChem CID71248203
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol
SMILESCO[C@H]1O[C@H](CNCCO)C=CC1C
InChIInChI=1S/C10H19NO3/c1-8-3-4-9(7-11-5-6-12)14-10(8)13-2/h3-4,8-12H,5-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyPDWKGPKYFGODAY-AGROOBSYSA-N
XLogP0.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol?
The IUPAC name of 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol (CID 71248203) is 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol?
The canonical SMILES for 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol is CO[C@H]1O[C@H](CNCCO)C=CC1C.
What is the InChIKey of 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol?
The InChIKey is PDWKGPKYFGODAY-AGROOBSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-3-4-9(7-11-5-6-12)14-10(8)13-2/h3-4,8-12H,5-7H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol?
2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol has a molecular weight of 201.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6S)-2-methoxy-3-methyl-3,6-dihydro-2H-pyran-6-yl]methylamino]ethanol is sourced from PubChem (CID 71248203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).