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

C7H16ClNO — CID 155294187

IUPAC(2S)-2,5,5-trimethylmorpholine;hydrochloride
SMILESC[C@H]1CNC(C)(C)CO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-4-8-7(2,3)5-9-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChIKeyYZCIRQYNLHQCLU-RGMNGODLSA-N
MW165.66 g/mol
LogP1.20
Rot. Bonds

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

(2S)-2,5,5-trimethylmorpholine;hydrochloride (PubChem CID 155294187) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (2S)-2,5,5-trimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2,5,5-trimethylmorpholine;hydrochloride
PubChem CID155294187
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(2S)-2,5,5-trimethylmorpholine;hydrochloride
SMILESC[C@H]1CNC(C)(C)CO1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-4-8-7(2,3)5-9-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChIKeyYZCIRQYNLHQCLU-RGMNGODLSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5,5-trimethylmorpholine
CID 42303684
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
2,2,6-trimethylmorpholine;hydrochloride
CID 172641070

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,5-trimethylmorpholine;hydrochloride?
The IUPAC name of (2S)-2,5,5-trimethylmorpholine;hydrochloride (CID 155294187) is (2S)-2,5,5-trimethylmorpholine;hydrochloride.
What is the SMILES notation for (2S)-2,5,5-trimethylmorpholine;hydrochloride?
The canonical SMILES for (2S)-2,5,5-trimethylmorpholine;hydrochloride is C[C@H]1CNC(C)(C)CO1.Cl.
What is the InChIKey of (2S)-2,5,5-trimethylmorpholine;hydrochloride?
The InChIKey is YZCIRQYNLHQCLU-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6-4-8-7(2,3)5-9-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2,5,5-trimethylmorpholine;hydrochloride?
(2S)-2,5,5-trimethylmorpholine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.20, 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;hydrochloride is sourced from PubChem (CID 155294187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).