4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine

C13H26N2O — CID 58364975

IUPAC4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine
SMILESCC(C)(C)N1CCOC(CN2CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)15-8-9-16-12(11-15)10-14-6-4-5-7-14/h12H,4-11H2,1-3H3
InChIKeyZPJDTKVUWYKXSS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.58
Rot. Bonds2

About 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine

4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine (PubChem CID 58364975) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine
PubChem CID58364975
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine
SMILESCC(C)(C)N1CCOC(CN2CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)15-8-9-16-12(11-15)10-14-6-4-5-7-14/h12H,4-11H2,1-3H3
InChIKeyZPJDTKVUWYKXSS-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine?
The IUPAC name of 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine (CID 58364975) is 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine is CC(C)(C)N1CCOC(CN2CCCC2)C1.
What is the InChIKey of 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine?
The InChIKey is ZPJDTKVUWYKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)15-8-9-16-12(11-15)10-14-6-4-5-7-14/h12H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine?
4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine has a molecular weight of 226.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine is sourced from PubChem (CID 58364975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).