5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one

C14H24N2O2 — CID 781026

IUPAC5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCN2CCOCC2)C1
InChIInChI=1S/C14H24N2O2/c1-14(2)10-12(9-13(17)11-14)15-3-4-16-5-7-18-8-6-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyGCCWWBRMNGDJGK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds4

About 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one (PubChem CID 781026) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one
PubChem CID781026
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCN2CCOCC2)C1
InChIInChI=1S/C14H24N2O2/c1-14(2)10-12(9-13(17)11-14)15-3-4-16-5-7-18-8-6-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyGCCWWBRMNGDJGK-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
CID 777230
5,5-Dimethyl-3-piperazin-1-yl-cyclohex-2-enone
CID 648131
Ethyl 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]acetate
CID 12872129
5,5-Dimethyl-3-(morpholin-4-ylamino)-cyclohex-2-enone
CID 768135
5,5-Dimethyl-3-[(piperidin-4-ylmethyl)amino]cyclohex-2-en-1-one
CID 557615
5,5-Dimethyl-3-{[3-(morpholin-4-yl)propyl]amino}cyclohex-2-en-1-one
CID 2837133
5,5-Dimethyl-3-[2-(2-vinyloxyethylamino)ethyl-amino]cyclohex-2-en-1-one
CID 129740910
3-[(2-Methoxyethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 4056701
2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
CID 4686337
3,3'-(Ethane-1,2-diyldiimino)bis(5,5-dimethylcyclohex-2-en-1-one)
CID 3101237
5-Methyl-3-piperazin-1-ylcyclohex-2-en-1-one
CID 13520893

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one (CID 781026) is 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NCCN2CCOCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one?
The InChIKey is GCCWWBRMNGDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2)10-12(9-13(17)11-14)15-3-4-16-5-7-18-8-6-16/h9,15H,3-8,10-11H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 781026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).