4-(4-tert-butylmorpholin-2-yl)butan-2-one

C12H23NO2 — CID 58441274

IUPAC4-(4-tert-butylmorpholin-2-yl)butan-2-one
SMILESCC(=O)CCC1CN(C(C)(C)C)CCO1
InChIInChI=1S/C12H23NO2/c1-10(14)5-6-11-9-13(7-8-15-11)12(2,3)4/h11H,5-9H2,1-4H3
InChIKeyYYFYNSCILQSQFT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.85
Rot. Bonds3

About 4-(4-tert-butylmorpholin-2-yl)butan-2-one

4-(4-tert-butylmorpholin-2-yl)butan-2-one (PubChem CID 58441274) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-tert-butylmorpholin-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-tert-butylmorpholin-2-yl)butan-2-one
PubChem CID58441274
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(4-tert-butylmorpholin-2-yl)butan-2-one
SMILESCC(=O)CCC1CN(C(C)(C)C)CCO1
InChIInChI=1S/C12H23NO2/c1-10(14)5-6-11-9-13(7-8-15-11)12(2,3)4/h11H,5-9H2,1-4H3
InChIKeyYYFYNSCILQSQFT-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(3,3-dimethylbutyl)morpholine
CID 170651590
4-tert-butyl-2-(piperidin-1-ylmethyl)morpholine
CID 146520255
(E)-3-[(2R)-4-tert-butylmorpholin-2-yl]-2-methylprop-2-enoic acid
CID 139341810
methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate
CID 58311587
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
4-tert-butyl-2-(2-piperidin-1-ylpropyl)morpholine
CID 167073041
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
4-tert-butyl-2-fluoromorpholine
CID 168840336
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylmorpholin-2-yl)butan-2-one?
The IUPAC name of 4-(4-tert-butylmorpholin-2-yl)butan-2-one (CID 58441274) is 4-(4-tert-butylmorpholin-2-yl)butan-2-one.
What is the SMILES notation for 4-(4-tert-butylmorpholin-2-yl)butan-2-one?
The canonical SMILES for 4-(4-tert-butylmorpholin-2-yl)butan-2-one is CC(=O)CCC1CN(C(C)(C)C)CCO1.
What is the InChIKey of 4-(4-tert-butylmorpholin-2-yl)butan-2-one?
The InChIKey is YYFYNSCILQSQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(14)5-6-11-9-13(7-8-15-11)12(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of 4-(4-tert-butylmorpholin-2-yl)butan-2-one?
4-(4-tert-butylmorpholin-2-yl)butan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylmorpholin-2-yl)butan-2-one is sourced from PubChem (CID 58441274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).