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

C9H18ClN3O — CID 19875691

IUPACN-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride
SMILESCCN=C=NCCN1CCOCC1.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-2-10-9-11-3-4-12-5-7-13-8-6-12;/h2-8H2,1H3;1H
InChIKeyRLMQOLPGACMLNG-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.93
Rot. Bonds4

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

N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride (PubChem CID 19875691) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride
PubChem CID19875691
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC NameN-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride
SMILESCCN=C=NCCN1CCOCC1.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-2-10-9-11-3-4-12-5-7-13-8-6-12;/h2-8H2,1H3;1H
InChIKeyRLMQOLPGACMLNG-UHFFFAOYSA-N
XLogP0.93
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.93
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;hydrochloride?
The IUPAC name of N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride (CID 19875691) is N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride.
What is the SMILES notation for N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride?
The canonical SMILES for N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride is CCN=C=NCCN1CCOCC1.Cl.
What is the InChIKey of N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride?
The InChIKey is RLMQOLPGACMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c1-2-10-9-11-3-4-12-5-7-13-8-6-12;/h2-8H2,1H3;1H.
What are the key properties of N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride?
N-ethyl-N'-(2-morpholin-4-ylethyl)methanediimine;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.93, 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;hydrochloride is sourced from PubChem (CID 19875691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).