4-(oxan-4-ylamino)cyclohexan-1-one

C11H19NO2 — CID 66871815

IUPAC4-(oxan-4-ylamino)cyclohexan-1-one
SMILESO=C1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-11-3-1-9(2-4-11)12-10-5-7-14-8-6-10/h9-10,12H,1-8H2
InChIKeyFGNJCSPFKRFXJY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.27
Rot. Bonds2

About 4-(oxan-4-ylamino)cyclohexan-1-one

4-(oxan-4-ylamino)cyclohexan-1-one (PubChem CID 66871815) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(oxan-4-ylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(oxan-4-ylamino)cyclohexan-1-one
PubChem CID66871815
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(oxan-4-ylamino)cyclohexan-1-one
SMILESO=C1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-11-3-1-9(2-4-11)12-10-5-7-14-8-6-10/h9-10,12H,1-8H2
InChIKeyFGNJCSPFKRFXJY-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylamino)cyclohexan-1-one?
The IUPAC name of 4-(oxan-4-ylamino)cyclohexan-1-one (CID 66871815) is 4-(oxan-4-ylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(oxan-4-ylamino)cyclohexan-1-one?
The canonical SMILES for 4-(oxan-4-ylamino)cyclohexan-1-one is O=C1CCC(NC2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-ylamino)cyclohexan-1-one?
The InChIKey is FGNJCSPFKRFXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-3-1-9(2-4-11)12-10-5-7-14-8-6-10/h9-10,12H,1-8H2.
What are the key properties of 4-(oxan-4-ylamino)cyclohexan-1-one?
4-(oxan-4-ylamino)cyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylamino)cyclohexan-1-one is sourced from PubChem (CID 66871815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).