2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine

C11H22N2O2 — CID 116732462

IUPAC2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine
SMILES[H]/N=C(/C(OC)C(C)(C)C)N1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9(14-4)10(12)13-5-7-15-8-6-13/h9,12H,5-8H2,1-4H3/b12-10-
InChIKeyQCRXRDMLMPWTFZ-BENRWUELSA-N
MW214.31 g/mol
LogP1.36
Rot. Bonds2

About 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine

2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine (PubChem CID 116732462) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine
PubChem CID116732462
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine
SMILES[H]/N=C(/C(OC)C(C)(C)C)N1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9(14-4)10(12)13-5-7-15-8-6-13/h9,12H,5-8H2,1-4H3/b12-10-
InChIKeyQCRXRDMLMPWTFZ-BENRWUELSA-N
XLogP1.36
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylsulfonyl-1-morpholin-4-ylpropan-1-imine
CID 116633503
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
Morpholine-4-carboselenoamide
CID 12008371
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
methyl morpholine-4-carboximidothioate
CID 8006837
(E)-3-fluoro-1-morpholin-4-ylbut-2-en-1-imine
CID 146177470
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875
2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide
CID 79152526
3-chloro-4-imino-N-methyl-4-morpholin-4-ylbut-2-en-2-amine
CID 163764000
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine (CID 116732462) is 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine is [H]/N=C(/C(OC)C(C)(C)C)N1CCOCC1.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine?
The InChIKey is QCRXRDMLMPWTFZ-BENRWUELSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)9(14-4)10(12)13-5-7-15-8-6-13/h9,12H,5-8H2,1-4H3/b12-10-.
What are the key properties of 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine?
2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine has a molecular weight of 214.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine is sourced from PubChem (CID 116732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).