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

C13H23N3O — CID 21449242

IUPACN-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine
SMILESCC(N=C=NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H23N3O/c1-12(16-7-9-17-10-8-16)14-11-15-13-5-3-2-4-6-13/h12-13H,2-10H2,1H3
InChIKeyNESJYLGSEWQWMH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.17
Rot. Bonds3

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

N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine (PubChem CID 21449242) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine.

Molecular Properties

Compound NameN-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine
PubChem CID21449242
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine
SMILESCC(N=C=NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H23N3O/c1-12(16-7-9-17-10-8-16)14-11-15-13-5-3-2-4-6-13/h12-13H,2-10H2,1H3
InChIKeyNESJYLGSEWQWMH-UHFFFAOYSA-N
XLogP2.17
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.17
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-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine?
The IUPAC name of N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine (CID 21449242) is N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine.
What is the SMILES notation for N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine?
The canonical SMILES for N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine is CC(N=C=NC1CCCCC1)N1CCOCC1.
What is the InChIKey of N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine?
The InChIKey is NESJYLGSEWQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(16-7-9-17-10-8-16)14-11-15-13-5-3-2-4-6-13/h12-13H,2-10H2,1H3.
What are the key properties of N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine?
N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine has a molecular weight of 237.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(1-morpholin-4-ylethyl)methanediimine is sourced from PubChem (CID 21449242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).