N'-(1-morpholin-4-ylethyl)methanediimine

C7H13N3O — CID 20142161

IUPACN'-(1-morpholin-4-ylethyl)methanediimine
SMILESCC(N=C=N)N1CCOCC1
InChIInChI=1S/C7H13N3O/c1-7(9-6-8)10-2-4-11-5-3-10/h7-8H,2-5H2,1H3
InChIKeyUZSVKSQVUWXOBX-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.20
Rot. Bonds2

About N'-(1-morpholin-4-ylethyl)methanediimine

N'-(1-morpholin-4-ylethyl)methanediimine (PubChem CID 20142161) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N'-(1-morpholin-4-ylethyl)methanediimine.

Molecular Properties

Compound NameN'-(1-morpholin-4-ylethyl)methanediimine
PubChem CID20142161
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN'-(1-morpholin-4-ylethyl)methanediimine
SMILESCC(N=C=N)N1CCOCC1
InChIInChI=1S/C7H13N3O/c1-7(9-6-8)10-2-4-11-5-3-10/h7-8H,2-5H2,1H3
InChIKeyUZSVKSQVUWXOBX-UHFFFAOYSA-N
XLogP1.20
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity159

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Moroxydine
CID 71655
Morpholine-4-carboximidamide Hydroiodide
CID 2778396
N'-carbamimidoylmorpholine-4-carboximidamide
CID 137345967
Morpholinoamidine
CID 205053
Morpholine-4-carboximidamide Hydrobromide
CID 2806564
Morpholine-4-carboximidamide hydrochloride
CID 12427952
1-(Morpholin-4-yl)methanamine
CID 17939679
2-Morpholinoethylcarbodiimide
CID 20387999
2-(4-Morpholino)-1-ethylamine
CID 21966830
Amino-methylmorpholine
CID 53796705
2-[Amino(morpholin-4-ium-4-ylidene)methyl]guanidine chloride
CID 44660312
N'-carbamimidoylmorpholine-4-carboximidamide
CID 135742562

Frequently Asked Questions

What is the IUPAC name of N'-(1-morpholin-4-ylethyl)methanediimine?
The IUPAC name of N'-(1-morpholin-4-ylethyl)methanediimine (CID 20142161) is N'-(1-morpholin-4-ylethyl)methanediimine.
What is the SMILES notation for N'-(1-morpholin-4-ylethyl)methanediimine?
The canonical SMILES for N'-(1-morpholin-4-ylethyl)methanediimine is CC(N=C=N)N1CCOCC1.
What is the InChIKey of N'-(1-morpholin-4-ylethyl)methanediimine?
The InChIKey is UZSVKSQVUWXOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(9-6-8)10-2-4-11-5-3-10/h7-8H,2-5H2,1H3.
What are the key properties of N'-(1-morpholin-4-ylethyl)methanediimine?
N'-(1-morpholin-4-ylethyl)methanediimine has a molecular weight of 155.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-morpholin-4-ylethyl)methanediimine is sourced from PubChem (CID 20142161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).