4-tert-butyl-2-(3,3-dimethylbutyl)morpholine

C14H29NO — CID 170651590

IUPAC4-tert-butyl-2-(3,3-dimethylbutyl)morpholine
SMILESCC(C)(C)CCC1CN(C(C)(C)C)CCO1
InChIInChI=1S/C14H29NO/c1-13(2,3)8-7-12-11-15(9-10-16-12)14(4,5)6/h12H,7-11H2,1-6H3
InChIKeyYKAYXXFEYSSXDT-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds2

About 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine

4-tert-butyl-2-(3,3-dimethylbutyl)morpholine (PubChem CID 170651590) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(3,3-dimethylbutyl)morpholine
PubChem CID170651590
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-tert-butyl-2-(3,3-dimethylbutyl)morpholine
SMILESCC(C)(C)CCC1CN(C(C)(C)C)CCO1
InChIInChI=1S/C14H29NO/c1-13(2,3)8-7-12-11-15(9-10-16-12)14(4,5)6/h12H,7-11H2,1-6H3
InChIKeyYKAYXXFEYSSXDT-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(4-tert-butylmorpholin-2-yl)butan-2-one
CID 58441274
4-tert-butyl-2-(piperidin-1-ylmethyl)morpholine
CID 146520255
4-tert-butyl-2-(2-piperidin-1-ylpropyl)morpholine
CID 167073041
4-tert-butyl-2-fluoromorpholine
CID 168840336
(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine
CID 59042596
4-tert-butyl-2-propan-2-ylmorpholine
CID 134252869
2-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 43562524
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
2-(2-ethylmorpholin-4-yl)-2,3-dimethylbutan-1-amine
CID 61353367
2-(methoxymethyl)-4-(2-methylbut-3-en-2-yl)morpholine
CID 123539022
(E)-3-[(2R)-4-tert-butylmorpholin-2-yl]-2-methylprop-2-enoic acid
CID 139341810
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine?
The IUPAC name of 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine (CID 170651590) is 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine is CC(C)(C)CCC1CN(C(C)(C)C)CCO1.
What is the InChIKey of 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine?
The InChIKey is YKAYXXFEYSSXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)8-7-12-11-15(9-10-16-12)14(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine?
4-tert-butyl-2-(3,3-dimethylbutyl)morpholine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3,3-dimethylbutyl)morpholine is sourced from PubChem (CID 170651590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).