3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone

C14H23NO2 — CID 102646947

IUPAC3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C14H23NO2/c1-15(2)14(9-5-3-6-10-14)13(16)12-8-4-7-11-17-12/h8H,3-7,9-11H2,1-2H3
InChIKeyAMPZRCKXXJKCPC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone

3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 102646947) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID102646947
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C14H23NO2/c1-15(2)14(9-5-3-6-10-14)13(16)12-8-4-7-11-17-12/h8H,3-7,9-11H2,1-2H3
InChIKeyAMPZRCKXXJKCPC-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone (CID 102646947) is 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone is CN(C)C1(C(=O)C2=CCCCO2)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is AMPZRCKXXJKCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15(2)14(9-5-3-6-10-14)13(16)12-8-4-7-11-17-12/h8H,3-7,9-11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone?
3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone has a molecular weight of 237.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 102646947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).