(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea

C13H26N6O2 — CID 11077383

IUPAC(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea
SMILESCN(C)C(=O)/N=C(/N=C(\N(C)C)N1CCOCC1)N(C)C
InChIInChI=1S/C13H26N6O2/c1-16(2)11(15-13(20)18(5)6)14-12(17(3)4)19-7-9-21-10-8-19/h7-10H2,1-6H3/b14-12+,15-11-
InChIKeyLWWRHMDVCLFAPI-BASNAROOSA-N
MW298.39 g/mol
LogP-0.16
Rot. Bonds

About (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea

(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea (PubChem CID 11077383) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea.

Molecular Properties

Compound Name(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea
PubChem CID11077383
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea
SMILESCN(C)C(=O)/N=C(/N=C(\N(C)C)N1CCOCC1)N(C)C
InChIInChI=1S/C13H26N6O2/c1-16(2)11(15-13(20)18(5)6)14-12(17(3)4)19-7-9-21-10-8-19/h7-10H2,1-6H3/b14-12+,15-11-
InChIKeyLWWRHMDVCLFAPI-BASNAROOSA-N
XLogP-0.16
TPSA63.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
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

4-methoxy-6-morpholin-4-yl-1H-1,3,5-triazin-2-one
CID 12026137
4-(2,6-dimethoxy-3-methyl-2H-1,3,5-triazin-4-yl)morpholine
CID 90931072
4-[1-(2-Methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine
CID 59325844
4-(1,3-Dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride
CID 67382887
4-(1,3-Dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium
CID 67382888
4-(1-chloro-4,6-dimethoxy-2H-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
CID 87496890
5-(4-Methylmorpholin-4-ium-4-yl)-1,2,4-triazol-3-one
CID 91612728
N'-(2-ethoxyethyl)morpholine-4-carboximidamide
CID 111045506
N,N,N'-trimethylmorpholine-4-carboximidamide
CID 130659489
N-(diaminomethylidene)-N'-methylmorpholine-4-carboximidamide;ethane
CID 142039327
N'-methyl-N-(N'-methylcarbamimidoyl)morpholine-4-carboximidamide
CID 142073649
N'-cyano-N,N-dimethylmorpholine-4-carboximidamide
CID 142073757

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea?
The IUPAC name of (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea (CID 11077383) is (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea.
What is the SMILES notation for (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea?
The canonical SMILES for (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea is CN(C)C(=O)/N=C(/N=C(\N(C)C)N1CCOCC1)N(C)C.
What is the InChIKey of (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea?
The InChIKey is LWWRHMDVCLFAPI-BASNAROOSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-16(2)11(15-13(20)18(5)6)14-12(17(3)4)19-7-9-21-10-8-19/h7-10H2,1-6H3/b14-12+,15-11-.
What are the key properties of (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea?
(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea has a molecular weight of 298.39 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea is sourced from PubChem (CID 11077383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).