N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine

C9H17N3O — CID 19908737

IUPACN-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine
SMILESCCN=C=NC1COCCN1CC
InChIInChI=1S/C9H17N3O/c1-3-10-8-11-9-7-13-6-5-12(9)4-2/h9H,3-7H2,1-2H3
InChIKeyPTKAWNSXJBBNMM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.86
Rot. Bonds3

About N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine

N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine (PubChem CID 19908737) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine.

Molecular Properties

Compound NameN-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine
PubChem CID19908737
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine
SMILESCCN=C=NC1COCCN1CC
InChIInChI=1S/C9H17N3O/c1-3-10-8-11-9-7-13-6-5-12(9)4-2/h9H,3-7H2,1-2H3
InChIKeyPTKAWNSXJBBNMM-UHFFFAOYSA-N
XLogP0.86
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine?
The IUPAC name of N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine (CID 19908737) is N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine.
What is the SMILES notation for N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine?
The canonical SMILES for N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine is CCN=C=NC1COCCN1CC.
What is the InChIKey of N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine?
The InChIKey is PTKAWNSXJBBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-10-8-11-9-7-13-6-5-12(9)4-2/h9H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine?
N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine has a molecular weight of 183.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-ethylmorpholin-3-yl)methanediimine is sourced from PubChem (CID 19908737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).