N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline

C15H23N3O — CID 2311860

IUPACN,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline
SMILESCCN(CC)c1ccc(/N=C/N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16-13-17-9-11-19-12-10-17/h5-8,13H,3-4,9-12H2,1-2H3/b16-13+
InChIKeyOZWGKCUHBUSOQR-DTQAZKPQSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds5

About N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline

N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline (PubChem CID 2311860) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline
PubChem CID2311860
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline
SMILESCCN(CC)c1ccc(/N=C/N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16-13-17-9-11-19-12-10-17/h5-8,13H,3-4,9-12H2,1-2H3/b16-13+
InChIKeyOZWGKCUHBUSOQR-DTQAZKPQSA-N
XLogP2.52
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline?
The IUPAC name of N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline (CID 2311860) is N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline.
What is the SMILES notation for N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline?
The canonical SMILES for N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline is CCN(CC)c1ccc(/N=C/N2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline?
The InChIKey is OZWGKCUHBUSOQR-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16-13-17-9-11-19-12-10-17/h5-8,13H,3-4,9-12H2,1-2H3/b16-13+.
What are the key properties of N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline?
N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline has a molecular weight of 261.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(morpholin-4-ylmethylideneamino)aniline is sourced from PubChem (CID 2311860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).