4-butan-2-yl-3-ethyl-3-methylmorpholine

C11H23NO — CID 127000155

IUPAC4-butan-2-yl-3-ethyl-3-methylmorpholine
SMILESCCC(C)N1CCOCC1(C)CC
InChIInChI=1S/C11H23NO/c1-5-10(3)12-7-8-13-9-11(12,4)6-2/h10H,5-9H2,1-4H3
InChIKeyJXOQGRDHAUSJFJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds3

About 4-butan-2-yl-3-ethyl-3-methylmorpholine

4-butan-2-yl-3-ethyl-3-methylmorpholine (PubChem CID 127000155) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-butan-2-yl-3-ethyl-3-methylmorpholine.

Molecular Properties

Compound Name4-butan-2-yl-3-ethyl-3-methylmorpholine
PubChem CID127000155
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-butan-2-yl-3-ethyl-3-methylmorpholine
SMILESCCC(C)N1CCOCC1(C)CC
InChIInChI=1S/C11H23NO/c1-5-10(3)12-7-8-13-9-11(12,4)6-2/h10H,5-9H2,1-4H3
InChIKeyJXOQGRDHAUSJFJ-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-diethyl-3-methylmorpholine
CID 127682047
2-(3,3-dimethylmorpholin-4-yl)-N-propylpropan-1-amine
CID 62461496
1-(3,3-dimethylmorpholin-4-yl)ethanol
CID 141129564
N-[2-(3,3-dimethylmorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 62461681
3,4-dimethyl-3-(propan-2-yloxymethyl)morpholine
CID 177126276
1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 79445840
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
3,4-dimethyl-3-(2-propan-2-yloxyethyl)morpholine
CID 177126087
(3S)-3-methyl-4-propan-2-ylmorpholine-3-carboxylic acid
CID 118118202
1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 79445824
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81019120
2-(3,3-dimethylmorpholin-4-yl)-N-methylpentan-1-amine
CID 83053918

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-ethyl-3-methylmorpholine?
The IUPAC name of 4-butan-2-yl-3-ethyl-3-methylmorpholine (CID 127000155) is 4-butan-2-yl-3-ethyl-3-methylmorpholine.
What is the SMILES notation for 4-butan-2-yl-3-ethyl-3-methylmorpholine?
The canonical SMILES for 4-butan-2-yl-3-ethyl-3-methylmorpholine is CCC(C)N1CCOCC1(C)CC.
What is the InChIKey of 4-butan-2-yl-3-ethyl-3-methylmorpholine?
The InChIKey is JXOQGRDHAUSJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(3)12-7-8-13-9-11(12,4)6-2/h10H,5-9H2,1-4H3.
What are the key properties of 4-butan-2-yl-3-ethyl-3-methylmorpholine?
4-butan-2-yl-3-ethyl-3-methylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-ethyl-3-methylmorpholine is sourced from PubChem (CID 127000155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).