2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one

C15H27NO2 — CID 71319313

IUPAC2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one
SMILESCC(C)(C)C(=O)C(=CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C15H27NO2/c1-14(2,3)12(13(17)15(4,5)6)11-16-7-9-18-10-8-16/h11H,7-10H2,1-6H3
InChIKeyKXXGRBLDBRRYBE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.86
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one

2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one (PubChem CID 71319313) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one
PubChem CID71319313
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one
SMILESCC(C)(C)C(=O)C(=CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C15H27NO2/c1-14(2,3)12(13(17)15(4,5)6)11-16-7-9-18-10-8-16/h11H,7-10H2,1-6H3
InChIKeyKXXGRBLDBRRYBE-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
(Z)-3-bromo-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 6064459
3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
CID 130450263
2-tert-butylsulfonyl-3-morpholin-4-ylprop-2-enenitrile
CID 3754228
(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
CID 129293911
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
N-(3,3-dimethyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152144
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-morpholin-4-ylprop-2-enenitrile
CID 108841053
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
(Z)-N-methyl-1-morpholin-4-ylbut-1-en-2-amine
CID 173496060

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one (CID 71319313) is 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one is CC(C)(C)C(=O)C(=CN1CCOCC1)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one?
The InChIKey is KXXGRBLDBRRYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)12(13(17)15(4,5)6)11-16-7-9-18-10-8-16/h11H,7-10H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one?
2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one has a molecular weight of 253.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one is sourced from PubChem (CID 71319313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).