4-(cinnamylideneamino)-N,N-diethylaniline

C19H22N2 — CID 4158443

IUPAC4-(cinnamylideneamino)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=C/C=Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2/c1-3-21(4-2)19-14-12-18(13-15-19)20-16-8-11-17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3/b11-8?,20-16+
InChIKeyBODGKRNEHJKQCY-AEVJJMGQSA-N
MW278.40 g/mol
LogP4.95
Rot. Bonds6

About 4-(cinnamylideneamino)-N,N-diethylaniline

4-(cinnamylideneamino)-N,N-diethylaniline (PubChem CID 4158443) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(cinnamylideneamino)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(cinnamylideneamino)-N,N-diethylaniline
PubChem CID4158443
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-(cinnamylideneamino)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/N=C/C=Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2/c1-3-21(4-2)19-14-12-18(13-15-19)20-16-8-11-17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3/b11-8?,20-16+
InChIKeyBODGKRNEHJKQCY-AEVJJMGQSA-N
XLogP4.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cinnamylideneamino)-N,N-diethylaniline?
The IUPAC name of 4-(cinnamylideneamino)-N,N-diethylaniline (CID 4158443) is 4-(cinnamylideneamino)-N,N-diethylaniline.
What is the SMILES notation for 4-(cinnamylideneamino)-N,N-diethylaniline?
The canonical SMILES for 4-(cinnamylideneamino)-N,N-diethylaniline is CCN(CC)c1ccc(/N=C/C=Cc2ccccc2)cc1.
What is the InChIKey of 4-(cinnamylideneamino)-N,N-diethylaniline?
The InChIKey is BODGKRNEHJKQCY-AEVJJMGQSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-21(4-2)19-14-12-18(13-15-19)20-16-8-11-17-9-6-5-7-10-17/h5-16H,3-4H2,1-2H3/b11-8?,20-16+.
What are the key properties of 4-(cinnamylideneamino)-N,N-diethylaniline?
4-(cinnamylideneamino)-N,N-diethylaniline has a molecular weight of 278.40 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cinnamylideneamino)-N,N-diethylaniline is sourced from PubChem (CID 4158443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).