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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Related Compounds

CID 59035132
CID 59035132
CID 59035134
CID 59035134
CID 91417768
CID 91417768
CID 143974316
CID 143974316
CID 143974337
CID 143974337
CID 20626709
CID 20626709
CID 44719218
CID 44719218

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).