[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol

C14H25NO2 — CID 62551276

IUPAC[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H25NO2/c1-12-5-7-14(11-16,8-6-12)15-10-13-4-2-3-9-17-13/h3,9,12-13,15-16H,2,4-8,10-11H2,1H3
InChIKeyAFSOIOIFTXPBCC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds4

About [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol

[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol (PubChem CID 62551276) 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)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol
PubChem CID62551276
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H25NO2/c1-12-5-7-14(11-16,8-6-12)15-10-13-4-2-3-9-17-13/h3,9,12-13,15-16H,2,4-8,10-11H2,1H3
InChIKeyAFSOIOIFTXPBCC-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)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol (CID 62551276) is [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCC2CCC=CO2)CC1.
What is the InChIKey of [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is AFSOIOIFTXPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12-5-7-14(11-16,8-6-12)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)-4-methylcyclohexyl]methanol?
[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol 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)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62551276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).