3,4-ditert-butyl-5-ethylmorpholine

C14H29NO — CID 70884419

IUPAC3,4-ditert-butyl-5-ethylmorpholine
SMILESCCC1COCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-11-9-16-10-12(13(2,3)4)15(11)14(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyWSYDCIYRZNZUSF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds1

About 3,4-ditert-butyl-5-ethylmorpholine

3,4-ditert-butyl-5-ethylmorpholine (PubChem CID 70884419) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,4-ditert-butyl-5-ethylmorpholine.

Molecular Properties

Compound Name3,4-ditert-butyl-5-ethylmorpholine
PubChem CID70884419
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,4-ditert-butyl-5-ethylmorpholine
SMILESCCC1COCC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-11-9-16-10-12(13(2,3)4)15(11)14(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyWSYDCIYRZNZUSF-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-ditert-butylmorpholin-3-yl)methanol
CID 148550763
3,4-ditert-butyl-5-(methoxymethyl)morpholine
CID 153289782
(1S,5R)-6-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 129150641
4-ethyl-3-methyl-1,3-oxazolidine
CID 15072772
3-ethyl-5-methyl-4-propan-2-ylmorpholine
CID 130177249
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
(3S)-3-ethyl-4-methylmorpholine
CID 130351596
3,5-diethyl-N-methylmorpholine-4-carboxamide
CID 129281645
9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 21478745
(3R)-3-tert-butyl-4-hydroxymorpholine
CID 167169311
5,6-ditert-butyl-2,3,4a,6,7,7a-hexahydro-[1,4]dioxino[2,3-b]pyrrole
CID 176747987
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5-ethylmorpholine?
The IUPAC name of 3,4-ditert-butyl-5-ethylmorpholine (CID 70884419) is 3,4-ditert-butyl-5-ethylmorpholine.
What is the SMILES notation for 3,4-ditert-butyl-5-ethylmorpholine?
The canonical SMILES for 3,4-ditert-butyl-5-ethylmorpholine is CCC1COCC(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-5-ethylmorpholine?
The InChIKey is WSYDCIYRZNZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-11-9-16-10-12(13(2,3)4)15(11)14(5,6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-5-ethylmorpholine?
3,4-ditert-butyl-5-ethylmorpholine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-5-ethylmorpholine is sourced from PubChem (CID 70884419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).