1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine

C11H22N2O — CID 104961271

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8-6-13(7-9(2)14-8)10(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/b12-10-/t8-,9+
InChIKeyJJGHOKKDZBCRTQ-DDEVNKPQSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine (PubChem CID 104961271) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine
PubChem CID104961271
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8-6-13(7-9(2)14-8)10(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/b12-10-/t8-,9+
InChIKeyJJGHOKKDZBCRTQ-DDEVNKPQSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-imine
CID 63182094
2,2-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-imine
CID 102746291
1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine
CID 63177588
2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-imine
CID 63176537
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one
CID 94878561
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
2-(hydroxymethyl)-6-methylmorpholine-4-carboximidamide
CID 102936516
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519
1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
CID 63181974

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine (CID 104961271) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine is [H]/N=C(\N1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine?
The InChIKey is JJGHOKKDZBCRTQ-DDEVNKPQSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-6-13(7-9(2)14-8)10(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/b12-10-/t8-,9+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine has a molecular weight of 198.31 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 104961271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).