N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline

C17H27N3O — CID 4072557

IUPACN,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline
SMILESCCN(CC)c1ccc(/C=N/CCN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)17-7-5-16(6-8-17)15-18-9-10-19-11-13-21-14-12-19/h5-8,15H,3-4,9-14H2,1-2H3/b18-15+
InChIKeyYTTXDQRVLHXVMY-OBGWFSINSA-N
MW289.42 g/mol
LogP2.28
Rot. Bonds7

About N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline

N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline (PubChem CID 4072557) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline
PubChem CID4072557
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline
SMILESCCN(CC)c1ccc(/C=N/CCN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)17-7-5-16(6-8-17)15-18-9-10-19-11-13-21-14-12-19/h5-8,15H,3-4,9-14H2,1-2H3/b18-15+
InChIKeyYTTXDQRVLHXVMY-OBGWFSINSA-N
XLogP2.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.28
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,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline?
The IUPAC name of N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline (CID 4072557) is N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline?
The canonical SMILES for N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline is CCN(CC)c1ccc(/C=N/CCN2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline?
The InChIKey is YTTXDQRVLHXVMY-OBGWFSINSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(4-2)17-7-5-16(6-8-17)15-18-9-10-19-11-13-21-14-12-19/h5-8,15H,3-4,9-14H2,1-2H3/b18-15+.
What are the key properties of N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline?
N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline has a molecular weight of 289.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-morpholin-4-ylethyliminomethyl)aniline is sourced from PubChem (CID 4072557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).