4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one

C13H23NO2 — CID 153338626

IUPAC4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C13H23NO2/c15-13-3-1-11(2-4-13)5-8-14-12-6-9-16-10-7-12/h11-12,14H,1-10H2
InChIKeyHXEYOJRLOTZCRG-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.90
Rot. Bonds4

About 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one

4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one (PubChem CID 153338626) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one
PubChem CID153338626
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C13H23NO2/c15-13-3-1-11(2-4-13)5-8-14-12-6-9-16-10-7-12/h11-12,14H,1-10H2
InChIKeyHXEYOJRLOTZCRG-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Cyclohexylethyl)tetrahydro-2H-pyran-4-amine
CID 60920032
4-(Oxan-4-ylamino)cyclohexan-1-one
CID 66871815
2-(Morpholin-3-yl)cyclohexan-1-one
CID 71756317
2-Methyl-6-(oxan-4-yl)piperidin-4-one
CID 82398775
N-(oxan-4-yl)cyclohexanecarboxamide
CID 91798404
4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 141126850
2-cyclohexyl-N-(oxan-4-yl)acetamide
CID 142750562
1-[(2S,4R)-4-(3-ethoxypropyl)piperidin-2-yl]ethanone
CID 142989375
1-(4-Piperidin-4-yloxycyclohexyl)ethanone
CID 144482220
3-Methyl-1-[2-(oxan-4-ylamino)cyclohexyl]butan-2-one
CID 162779561
1-[2-(Oxan-4-ylamino)cyclohexyl]propan-2-one
CID 166977977
4-(Oxan-4-ylamino)cyclohexane-1-carboxamide
CID 43748753

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one (CID 153338626) is 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one is O=C1CCC(CCNC2CCOCC2)CC1.
What is the InChIKey of 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one?
The InChIKey is HXEYOJRLOTZCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13-3-1-11(2-4-13)5-8-14-12-6-9-16-10-7-12/h11-12,14H,1-10H2.
What are the key properties of 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one?
4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-ylamino)ethyl]cyclohexan-1-one is sourced from PubChem (CID 153338626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).