3-tert-butyl-3-ethyl-4-propylmorpholine

C13H27NO — CID 170139824

IUPAC3-tert-butyl-3-ethyl-4-propylmorpholine
SMILESCCCN1CCOCC1(CC)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-8-14-9-10-15-11-13(14,7-2)12(3,4)5/h6-11H2,1-5H3
InChIKeyWIRVJQZXWVHEIP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds3

About 3-tert-butyl-3-ethyl-4-propylmorpholine

3-tert-butyl-3-ethyl-4-propylmorpholine (PubChem CID 170139824) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-tert-butyl-3-ethyl-4-propylmorpholine.

Molecular Properties

Compound Name3-tert-butyl-3-ethyl-4-propylmorpholine
PubChem CID170139824
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-tert-butyl-3-ethyl-4-propylmorpholine
SMILESCCCN1CCOCC1(CC)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-8-14-9-10-15-11-13(14,7-2)12(3,4)5/h6-11H2,1-5H3
InChIKeyWIRVJQZXWVHEIP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-diethyl-3-methylmorpholine
CID 127682047
ethane;4-propylmorpholine
CID 143004992
2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-methylpentan-1-amine
CID 62260675
1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one
CID 165461992
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
4-propylmorpholine;hydrobromide
CID 70540609
4-ethyl-3-methoxy-3-propylmorpholine
CID 162222691
1-(3,3-dimethylmorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 62846220
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
CID 171515874
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259652
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-ethyl-4-propylmorpholine?
The IUPAC name of 3-tert-butyl-3-ethyl-4-propylmorpholine (CID 170139824) is 3-tert-butyl-3-ethyl-4-propylmorpholine.
What is the SMILES notation for 3-tert-butyl-3-ethyl-4-propylmorpholine?
The canonical SMILES for 3-tert-butyl-3-ethyl-4-propylmorpholine is CCCN1CCOCC1(CC)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-3-ethyl-4-propylmorpholine?
The InChIKey is WIRVJQZXWVHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-14-9-10-15-11-13(14,7-2)12(3,4)5/h6-11H2,1-5H3.
What are the key properties of 3-tert-butyl-3-ethyl-4-propylmorpholine?
3-tert-butyl-3-ethyl-4-propylmorpholine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-ethyl-4-propylmorpholine is sourced from PubChem (CID 170139824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).