N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline

C26H32N4 — CID 5343486

IUPACN,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline
SMILESCCN(CC)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H32N4/c1-3-29(4-2)25-14-12-22(13-15-25)20-27-30-18-16-28(17-19-30)21-24-10-7-9-23-8-5-6-11-26(23)24/h5-15,20H,3-4,16-19,21H2,1-2H3/b27-20+
InChIKeyCGOZYZJNAFZUEZ-NHFJDJAPSA-N
MW400.57 g/mol
LogP4.84
Rot. Bonds7

About N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline

N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline (PubChem CID 5343486) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline
PubChem CID5343486
Molecular FormulaC26H32N4
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC NameN,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline
SMILESCCN(CC)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H32N4/c1-3-29(4-2)25-14-12-22(13-15-25)20-27-30-18-16-28(17-19-30)21-24-10-7-9-23-8-5-6-11-26(23)24/h5-15,20H,3-4,16-19,21H2,1-2H3/b27-20+
InChIKeyCGOZYZJNAFZUEZ-NHFJDJAPSA-N
XLogP4.84
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline (CID 5343486) is N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline is CCN(CC)c1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline?
The InChIKey is CGOZYZJNAFZUEZ-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H32N4/c1-3-29(4-2)25-14-12-22(13-15-25)20-27-30-18-16-28(17-19-30)21-24-10-7-9-23-8-5-6-11-26(23)24/h5-15,20H,3-4,16-19,21H2,1-2H3/b27-20+.
What are the key properties of N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline?
N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline has a molecular weight of 400.57 g/mol, XLogP of 4.84, 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-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline is sourced from PubChem (CID 5343486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).