4-butyl-2-(2,2-dimethylpropyl)morpholine

C13H27NO — CID 58530670

IUPAC4-butyl-2-(2,2-dimethylpropyl)morpholine
SMILESCCCCN1CCOC(CC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-6-7-14-8-9-15-12(11-14)10-13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyOUHLSQZVFVWEOB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds4

About 4-butyl-2-(2,2-dimethylpropyl)morpholine

4-butyl-2-(2,2-dimethylpropyl)morpholine (PubChem CID 58530670) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-butyl-2-(2,2-dimethylpropyl)morpholine.

Molecular Properties

Compound Name4-butyl-2-(2,2-dimethylpropyl)morpholine
PubChem CID58530670
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-butyl-2-(2,2-dimethylpropyl)morpholine
SMILESCCCCN1CCOC(CC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-6-7-14-8-9-15-12(11-14)10-13(2,3)4/h12H,5-11H2,1-4H3
InChIKeyOUHLSQZVFVWEOB-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(2,2-dimethylpropyl)morpholine?
The IUPAC name of 4-butyl-2-(2,2-dimethylpropyl)morpholine (CID 58530670) is 4-butyl-2-(2,2-dimethylpropyl)morpholine.
What is the SMILES notation for 4-butyl-2-(2,2-dimethylpropyl)morpholine?
The canonical SMILES for 4-butyl-2-(2,2-dimethylpropyl)morpholine is CCCCN1CCOC(CC(C)(C)C)C1.
What is the InChIKey of 4-butyl-2-(2,2-dimethylpropyl)morpholine?
The InChIKey is OUHLSQZVFVWEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-7-14-8-9-15-12(11-14)10-13(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 4-butyl-2-(2,2-dimethylpropyl)morpholine?
4-butyl-2-(2,2-dimethylpropyl)morpholine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(2,2-dimethylpropyl)morpholine is sourced from PubChem (CID 58530670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).