2-tert-butyl-5,5-dimethylmorpholine

C10H21NO — CID 43366948

IUPAC2-tert-butyl-5,5-dimethylmorpholine
SMILESCC1(C)COC(C(C)(C)C)CN1
InChIInChI=1S/C10H21NO/c1-9(2,3)8-6-11-10(4,5)7-12-8/h8,11H,6-7H2,1-5H3
InChIKeyNIMMQZFUKWTDND-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds

About 2-tert-butyl-5,5-dimethylmorpholine

2-tert-butyl-5,5-dimethylmorpholine (PubChem CID 43366948) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethylmorpholine
PubChem CID43366948
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-tert-butyl-5,5-dimethylmorpholine
SMILESCC1(C)COC(C(C)(C)C)CN1
InChIInChI=1S/C10H21NO/c1-9(2,3)8-6-11-10(4,5)7-12-8/h8,11H,6-7H2,1-5H3
InChIKeyNIMMQZFUKWTDND-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethylmorpholine?
The IUPAC name of 2-tert-butyl-5,5-dimethylmorpholine (CID 43366948) is 2-tert-butyl-5,5-dimethylmorpholine.
What is the SMILES notation for 2-tert-butyl-5,5-dimethylmorpholine?
The canonical SMILES for 2-tert-butyl-5,5-dimethylmorpholine is CC1(C)COC(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5,5-dimethylmorpholine?
The InChIKey is NIMMQZFUKWTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)8-6-11-10(4,5)7-12-8/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-dimethylmorpholine?
2-tert-butyl-5,5-dimethylmorpholine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethylmorpholine is sourced from PubChem (CID 43366948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).