1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol

C13H23NO2 — CID 65106961

IUPAC1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CCC=CO2)CCCCC1
InChIInChI=1S/C13H23NO2/c15-13(7-3-1-4-8-13)11-14-10-12-6-2-5-9-16-12/h5,9,12,14-15H,1-4,6-8,10-11H2
InChIKeyBGGPSRGBDOCZQU-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds4

About 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 65106961) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID65106961
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CCC=CO2)CCCCC1
InChIInChI=1S/C13H23NO2/c15-13(7-3-1-4-8-13)11-14-10-12-6-2-5-9-16-12/h5,9,12,14-15H,1-4,6-8,10-11H2
InChIKeyBGGPSRGBDOCZQU-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 65106961) is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCC2CCC=CO2)CCCCC1.
What is the InChIKey of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is BGGPSRGBDOCZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(7-3-1-4-8-13)11-14-10-12-6-2-5-9-16-12/h5,9,12,14-15H,1-4,6-8,10-11H2.
What are the key properties of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol?
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65106961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).