N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine

C9H17N3O — CID 19875692

IUPACN-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine
SMILESCCN=C=NCCN1CCOCC1
InChIInChI=1S/C9H17N3O/c1-2-10-9-11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3
InChIKeyNRRTWPDCIMQNOZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.51
Rot. Bonds4

About N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine

N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine (PubChem CID 19875692) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine.

Molecular Properties

Compound NameN-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine
PubChem CID19875692
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine
SMILESCCN=C=NCCN1CCOCC1
InChIInChI=1S/C9H17N3O/c1-2-10-9-11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3
InChIKeyNRRTWPDCIMQNOZ-UHFFFAOYSA-N
XLogP0.51
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.51
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'-(2-morpholin-4-ylethyl)methanediimine?
The IUPAC name of N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine (CID 19875692) is N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine.
What is the SMILES notation for N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine?
The canonical SMILES for N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine is CCN=C=NCCN1CCOCC1.
What is the InChIKey of N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine?
The InChIKey is NRRTWPDCIMQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-10-9-11-3-4-12-5-7-13-8-6-12/h2-8H2,1H3.
What are the key properties of N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine?
N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine has a molecular weight of 183.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine is sourced from PubChem (CID 19875692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).