4-tert-butyl-2,2-dimethylmorpholine

C10H21NO — CID 59539576

IUPAC4-tert-butyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(C(C)(C)C)CCO1
InChIInChI=1S/C10H21NO/c1-9(2,3)11-6-7-12-10(4,5)8-11/h6-8H2,1-5H3
InChIKeyHXJICMYWPIVOIM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds

About 4-tert-butyl-2,2-dimethylmorpholine

4-tert-butyl-2,2-dimethylmorpholine (PubChem CID 59539576) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-tert-butyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-tert-butyl-2,2-dimethylmorpholine
PubChem CID59539576
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-tert-butyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(C(C)(C)C)CCO1
InChIInChI=1S/C10H21NO/c1-9(2,3)11-6-7-12-10(4,5)8-11/h6-8H2,1-5H3
InChIKeyHXJICMYWPIVOIM-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-tert-butyl-2-(methoxymethyl)-2-methylmorpholine
CID 168820581
2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid
CID 82238554
2-(2,2-dimethylmorpholin-4-yl)-2,5-dimethylhexan-1-amine
CID 43592675
2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid
CID 82239374
4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine];hydrochloride
CID 91812264
4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 65267178
2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831138
1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 43592748
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 61153898
2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
CID 170939414

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,2-dimethylmorpholine?
The IUPAC name of 4-tert-butyl-2,2-dimethylmorpholine (CID 59539576) is 4-tert-butyl-2,2-dimethylmorpholine.
What is the SMILES notation for 4-tert-butyl-2,2-dimethylmorpholine?
The canonical SMILES for 4-tert-butyl-2,2-dimethylmorpholine is CC1(C)CN(C(C)(C)C)CCO1.
What is the InChIKey of 4-tert-butyl-2,2-dimethylmorpholine?
The InChIKey is HXJICMYWPIVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)11-6-7-12-10(4,5)8-11/h6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-2,2-dimethylmorpholine?
4-tert-butyl-2,2-dimethylmorpholine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,2-dimethylmorpholine is sourced from PubChem (CID 59539576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).