(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H19NO2 — CID 102648278

IUPAC(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C12H19NO2/c13-12(7-3-1-4-8-12)11(14)10-6-2-5-9-15-10/h6H,1-5,7-9,13H2
InChIKeyCGAQYKLQOAROQQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds2

About (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648278) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648278
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C12H19NO2/c13-12(7-3-1-4-8-12)11(14)10-6-2-5-9-15-10/h6H,1-5,7-9,13H2
InChIKeyCGAQYKLQOAROQQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648278) is (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is NC1(C(=O)C2=CCCCO2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is CGAQYKLQOAROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-12(7-3-1-4-8-12)11(14)10-6-2-5-9-15-10/h6H,1-5,7-9,13H2.
What are the key properties of (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).