acetic acid;4-butyl-2-methylmorpholine

C11H23NO3 — CID 175198746

IUPACacetic acid;4-butyl-2-methylmorpholine
SMILESCC(=O)O.CCCCN1CCOC(C)C1
InChIInChI=1S/C9H19NO.C2H4O2/c1-3-4-5-10-6-7-11-9(2)8-10;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyMOSHTWHPRSDGQE-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds3

About acetic acid;4-butyl-2-methylmorpholine

acetic acid;4-butyl-2-methylmorpholine (PubChem CID 175198746) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is acetic acid;4-butyl-2-methylmorpholine.

Molecular Properties

Compound Nameacetic acid;4-butyl-2-methylmorpholine
PubChem CID175198746
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameacetic acid;4-butyl-2-methylmorpholine
SMILESCC(=O)O.CCCCN1CCOC(C)C1
InChIInChI=1S/C9H19NO.C2H4O2/c1-3-4-5-10-6-7-11-9(2)8-10;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyMOSHTWHPRSDGQE-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid
CID 174921461
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]propanamide
CID 71113606
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
CID 130593590
2-amino-2-ethyl-5-(2-methylmorpholin-4-yl)pentan-1-ol
CID 106809098
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293
2,2-dimethyl-6-(2-methylmorpholin-4-yl)hexan-1-amine
CID 106707845
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-butyl-2-methylmorpholine?
The IUPAC name of acetic acid;4-butyl-2-methylmorpholine (CID 175198746) is acetic acid;4-butyl-2-methylmorpholine.
What is the SMILES notation for acetic acid;4-butyl-2-methylmorpholine?
The canonical SMILES for acetic acid;4-butyl-2-methylmorpholine is CC(=O)O.CCCCN1CCOC(C)C1.
What is the InChIKey of acetic acid;4-butyl-2-methylmorpholine?
The InChIKey is MOSHTWHPRSDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H4O2/c1-3-4-5-10-6-7-11-9(2)8-10;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-butyl-2-methylmorpholine?
acetic acid;4-butyl-2-methylmorpholine has a molecular weight of 217.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-butyl-2-methylmorpholine is sourced from PubChem (CID 175198746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).