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

C14H25NO2 — CID 65117555

IUPAC1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC2CCC=CO2)CC1
InChIInChI=1S/C14H25NO2/c1-12-5-7-14(16,8-6-12)11-15-10-13-4-2-3-9-17-13/h3,9,12-13,15-16H,2,4-8,10-11H2,1H3
InChIKeyADJZSHDZMSDYNT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds4

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

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65117555) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65117555
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC2CCC=CO2)CC1
InChIInChI=1S/C14H25NO2/c1-12-5-7-14(16,8-6-12)11-15-10-13-4-2-3-9-17-13/h3,9,12-13,15-16H,2,4-8,10-11H2,1H3
InChIKeyADJZSHDZMSDYNT-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
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]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol (CID 65117555) is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCC2CCC=CO2)CC1.
What is the InChIKey of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is ADJZSHDZMSDYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12-5-7-14(16,8-6-12)11-15-10-13-4-2-3-9-17-13/h3,9,12-13,15-16H,2,4-8,10-11H2,1H3.
What are the key properties of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 2.21, 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]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65117555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).