3-butyl-4-tert-butyl-2-methylmorpholine

C13H27NO — CID 70861633

IUPAC3-butyl-4-tert-butyl-2-methylmorpholine
SMILESCCCCC1C(C)OCCN1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-12-11(2)15-10-9-14(12)13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyKHKGBSUIRLPVER-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds3

About 3-butyl-4-tert-butyl-2-methylmorpholine

3-butyl-4-tert-butyl-2-methylmorpholine (PubChem CID 70861633) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-butyl-4-tert-butyl-2-methylmorpholine.

Molecular Properties

Compound Name3-butyl-4-tert-butyl-2-methylmorpholine
PubChem CID70861633
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-butyl-4-tert-butyl-2-methylmorpholine
SMILESCCCCC1C(C)OCCN1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-12-11(2)15-10-9-14(12)13(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyKHKGBSUIRLPVER-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-tert-butyl-2-methylmorpholine?
The IUPAC name of 3-butyl-4-tert-butyl-2-methylmorpholine (CID 70861633) is 3-butyl-4-tert-butyl-2-methylmorpholine.
What is the SMILES notation for 3-butyl-4-tert-butyl-2-methylmorpholine?
The canonical SMILES for 3-butyl-4-tert-butyl-2-methylmorpholine is CCCCC1C(C)OCCN1C(C)(C)C.
What is the InChIKey of 3-butyl-4-tert-butyl-2-methylmorpholine?
The InChIKey is KHKGBSUIRLPVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-12-11(2)15-10-9-14(12)13(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-butyl-4-tert-butyl-2-methylmorpholine?
3-butyl-4-tert-butyl-2-methylmorpholine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-tert-butyl-2-methylmorpholine is sourced from PubChem (CID 70861633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).