2-tert-butylmorpholine

C8H17NO — CID 19078709

IUPAC2-tert-butylmorpholine
SMILESCC(C)(C)C1CNCCO1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-6-9-4-5-10-7/h7,9H,4-6H2,1-3H3
InChIKeyDDGWWGFLUBJYAT-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds

About 2-tert-butylmorpholine

2-tert-butylmorpholine (PubChem CID 19078709) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-tert-butylmorpholine.

Molecular Properties

Compound Name2-tert-butylmorpholine
PubChem CID19078709
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-tert-butylmorpholine
SMILESCC(C)(C)C1CNCCO1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-6-9-4-5-10-7/h7,9H,4-6H2,1-3H3
InChIKeyDDGWWGFLUBJYAT-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylmorpholine?
The IUPAC name of 2-tert-butylmorpholine (CID 19078709) is 2-tert-butylmorpholine.
What is the SMILES notation for 2-tert-butylmorpholine?
The canonical SMILES for 2-tert-butylmorpholine is CC(C)(C)C1CNCCO1.
What is the InChIKey of 2-tert-butylmorpholine?
The InChIKey is DDGWWGFLUBJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7-6-9-4-5-10-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-tert-butylmorpholine?
2-tert-butylmorpholine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylmorpholine is sourced from PubChem (CID 19078709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).