(2S)-2,5,5-trimethylmorpholine

C7H15NO — CID 42303684

IUPAC(2S)-2,5,5-trimethylmorpholine
SMILESC[C@H]1CNC(C)(C)CO1
InChIInChI=1S/C7H15NO/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyHNEUNOOQVVWQNF-LURJTMIESA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds

About (2S)-2,5,5-trimethylmorpholine

(2S)-2,5,5-trimethylmorpholine (PubChem CID 42303684) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S)-2,5,5-trimethylmorpholine.

Molecular Properties

Compound Name(2S)-2,5,5-trimethylmorpholine
PubChem CID42303684
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S)-2,5,5-trimethylmorpholine
SMILESC[C@H]1CNC(C)(C)CO1
InChIInChI=1S/C7H15NO/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyHNEUNOOQVVWQNF-LURJTMIESA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5,5-trimethylmorpholine;hydrochloride
CID 155294187
5-ethyl-2,5-dimethylmorpholine
CID 22689125
(2R)-2,6,6-trimethyl-1,4-oxazepane
CID 177088964
2-tert-butyl-5,5-dimethylmorpholine
CID 43366948
(5,5-dimethylmorpholin-2-yl)methanamine
CID 145301110
2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine
CID 134506537
5,5-dimethyl-2-(5-methylfuran-2-yl)morpholine
CID 43366956
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholine
CID 42183147
5,5-dimethyl-2-(4-nitrophenyl)morpholine
CID 154639657

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,5-trimethylmorpholine?
The IUPAC name of (2S)-2,5,5-trimethylmorpholine (CID 42303684) is (2S)-2,5,5-trimethylmorpholine.
What is the SMILES notation for (2S)-2,5,5-trimethylmorpholine?
The canonical SMILES for (2S)-2,5,5-trimethylmorpholine is C[C@H]1CNC(C)(C)CO1.
What is the InChIKey of (2S)-2,5,5-trimethylmorpholine?
The InChIKey is HNEUNOOQVVWQNF-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-8-7(2,3)5-9-6/h6,8H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2,5,5-trimethylmorpholine?
(2S)-2,5,5-trimethylmorpholine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5,5-trimethylmorpholine is sourced from PubChem (CID 42303684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).