4-tert-butylmorpholine;2-methoxy-2-methylpropane

C13H29NO2 — CID 159275308

IUPAC4-tert-butylmorpholine;2-methoxy-2-methylpropane
SMILESCC(C)(C)N1CCOCC1.COC(C)(C)C
InChIInChI=1S/C8H17NO.C5H12O/c1-8(2,3)9-4-6-10-7-5-9;1-5(2,3)6-4/h4-7H2,1-3H3;1-4H3
InChIKeyKYFRLFGCWARNQJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.55
Rot. Bonds

About 4-tert-butylmorpholine;2-methoxy-2-methylpropane

4-tert-butylmorpholine;2-methoxy-2-methylpropane (PubChem CID 159275308) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-tert-butylmorpholine;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name4-tert-butylmorpholine;2-methoxy-2-methylpropane
PubChem CID159275308
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name4-tert-butylmorpholine;2-methoxy-2-methylpropane
SMILESCC(C)(C)N1CCOCC1.COC(C)(C)C
InChIInChI=1S/C8H17NO.C5H12O/c1-8(2,3)9-4-6-10-7-5-9;1-5(2,3)6-4/h4-7H2,1-3H3;1-4H3
InChIKeyKYFRLFGCWARNQJ-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;2-methoxy-2-methylpropane?
The IUPAC name of 4-tert-butylmorpholine;2-methoxy-2-methylpropane (CID 159275308) is 4-tert-butylmorpholine;2-methoxy-2-methylpropane.
What is the SMILES notation for 4-tert-butylmorpholine;2-methoxy-2-methylpropane?
The canonical SMILES for 4-tert-butylmorpholine;2-methoxy-2-methylpropane is CC(C)(C)N1CCOCC1.COC(C)(C)C.
What is the InChIKey of 4-tert-butylmorpholine;2-methoxy-2-methylpropane?
The InChIKey is KYFRLFGCWARNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C5H12O/c1-8(2,3)9-4-6-10-7-5-9;1-5(2,3)6-4/h4-7H2,1-3H3;1-4H3.
What are the key properties of 4-tert-butylmorpholine;2-methoxy-2-methylpropane?
4-tert-butylmorpholine;2-methoxy-2-methylpropane has a molecular weight of 231.38 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;2-methoxy-2-methylpropane is sourced from PubChem (CID 159275308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).