(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide

C8H15N3OSe — CID 12008360

IUPAC(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide
SMILESCN(C)/C=N/C(=[Se])N1CCOCC1
InChIInChI=1S/C8H15N3OSe/c1-10(2)7-9-8(13)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/b9-7+
InChIKeyUARJEQWGKVVNPE-VQHVLOKHSA-N
MW248.19 g/mol
LogP-0.84
Rot. Bonds3

About (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide

(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide (PubChem CID 12008360) has the molecular formula C8H15N3OSe and a molecular weight of 248.19 g/mol. Its IUPAC name is (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide.

Molecular Properties

Compound Name(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide
PubChem CID12008360
Molecular FormulaC8H15N3OSe
Molecular Weight248.19 g/mol
Exact Mass249.04
IUPAC Name(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide
SMILESCN(C)/C=N/C(=[Se])N1CCOCC1
InChIInChI=1S/C8H15N3OSe/c1-10(2)7-9-8(13)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/b9-7+
InChIKeyUARJEQWGKVVNPE-VQHVLOKHSA-N
XLogP-0.84
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(dimethylaminomethylidene)morpholine-4-carbothioamide
CID 2740545
(2E)-3-(dimethylamino)-1-morpholin-4-yl-2-azaprop-2-ene-1-thione
CID 9580592
N-(1-morpholin-4-ylethyl)methanimine
CID 17938156
N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine
CID 19908737
N-(4-methylmorpholin-3-yl)methanimine
CID 20643552
N-methyl-1-morpholin-4-ylmethanimine
CID 57536775
N-(dimethylaminomethylidene)morpholine-4-carboselenoamide
CID 73176000
N-ethyl-N'-(morpholin-4-ylmethyl)methanediimine
CID 88796335
Dimethyl(morpholin-4-ylmethylidene)azanium
CID 89393357
N-ethylidene-N'-methylmorpholine-4-carboximidamide
CID 123454942
N'-methyl-N-methylidenemorpholine-4-carboximidamide
CID 123560966
N,N,N'-trimethylmorpholine-4-carboximidamide
CID 130659489

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
The IUPAC name of (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide (CID 12008360) is (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide.
What is the SMILES notation for (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
The canonical SMILES for (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide is CN(C)/C=N/C(=[Se])N1CCOCC1.
What is the InChIKey of (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
The InChIKey is UARJEQWGKVVNPE-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N3OSe/c1-10(2)7-9-8(13)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/b9-7+.
What are the key properties of (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide?
(NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide has a molecular weight of 248.19 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(dimethylaminomethylidene)morpholine-4-carboselenoamide is sourced from PubChem (CID 12008360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).