2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol

C13H23NO2 — CID 115742168

IUPAC2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1=CCCOC1
InChIInChI=1S/C13H23NO2/c15-13-6-2-1-5-12(13)9-14-8-11-4-3-7-16-10-11/h4,12-15H,1-3,5-10H2
InChIKeyNRRMTBFNBHFLHM-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds4

About 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol

2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 115742168) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID115742168
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1=CCCOC1
InChIInChI=1S/C13H23NO2/c15-13-6-2-1-5-12(13)9-14-8-11-4-3-7-16-10-11/h4,12-15H,1-3,5-10H2
InChIKeyNRRMTBFNBHFLHM-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol (CID 115742168) is 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCC1=CCCOC1.
What is the InChIKey of 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is NRRMTBFNBHFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13-6-2-1-5-12(13)9-14-8-11-4-3-7-16-10-11/h4,12-15H,1-3,5-10H2.
What are the key properties of 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol?
2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115742168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).