3-tert-butyl-3-propan-2-ylmorpholine

C11H23NO — CID 163451578

IUPAC3-tert-butyl-3-propan-2-ylmorpholine
SMILESCC(C)C1(C(C)(C)C)COCCN1
InChIInChI=1S/C11H23NO/c1-9(2)11(10(3,4)5)8-13-7-6-12-11/h9,12H,6-8H2,1-5H3
InChIKeyTZOHNEFHKYJLMR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds1

About 3-tert-butyl-3-propan-2-ylmorpholine

3-tert-butyl-3-propan-2-ylmorpholine (PubChem CID 163451578) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-tert-butyl-3-propan-2-ylmorpholine.

Molecular Properties

Compound Name3-tert-butyl-3-propan-2-ylmorpholine
PubChem CID163451578
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-tert-butyl-3-propan-2-ylmorpholine
SMILESCC(C)C1(C(C)(C)C)COCCN1
InChIInChI=1S/C11H23NO/c1-9(2)11(10(3,4)5)8-13-7-6-12-11/h9,12H,6-8H2,1-5H3
InChIKeyTZOHNEFHKYJLMR-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 142531209
(3-cyclohexylmorpholin-3-yl)methanol
CID 105452295
3-tert-butyl-1,4-oxazepane-3-carboxylic acid
CID 105453564
7-oxa-4-azaspiro[2.5]octane;hydrochloride
CID 22342972
2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane
CID 162462266
6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane
CID 130529084
11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane
CID 130991851
3-(3-methylbutyl)morpholine-3-carboxylic acid
CID 105453567
(3-tert-butyl-1,4-oxazepan-3-yl)methanol
CID 105442734
2-tert-butyl-2-propan-2-ylmorpholine
CID 163451577
N-methyl-3-propan-2-yloxolan-3-amine
CID 177186898
9-oxa-2,6-diazaspiro[4.5]decan-1-one
CID 165458993

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-propan-2-ylmorpholine?
The IUPAC name of 3-tert-butyl-3-propan-2-ylmorpholine (CID 163451578) is 3-tert-butyl-3-propan-2-ylmorpholine.
What is the SMILES notation for 3-tert-butyl-3-propan-2-ylmorpholine?
The canonical SMILES for 3-tert-butyl-3-propan-2-ylmorpholine is CC(C)C1(C(C)(C)C)COCCN1.
What is the InChIKey of 3-tert-butyl-3-propan-2-ylmorpholine?
The InChIKey is TZOHNEFHKYJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11(10(3,4)5)8-13-7-6-12-11/h9,12H,6-8H2,1-5H3.
What are the key properties of 3-tert-butyl-3-propan-2-ylmorpholine?
3-tert-butyl-3-propan-2-ylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-propan-2-ylmorpholine is sourced from PubChem (CID 163451578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).