2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine

C26H32N2 — CID 57276824

IUPAC2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine
SMILESc1ccc(CC2CC/C2=N\CCCC/N=C2\CCC2Cc2ccccc2)cc1
InChIInChI=1S/C26H32N2/c1-3-9-21(10-4-1)19-23-13-15-25(23)27-17-7-8-18-28-26-16-14-24(26)20-22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2/b27-25+,28-26+
InChIKeyDBHLGNNPPZEQDQ-NBHCHVEOSA-N
MW372.56 g/mol
LogP5.95
Rot. Bonds9

About 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine

2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine (PubChem CID 57276824) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine.

Molecular Properties

Compound Name2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine
PubChem CID57276824
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine
SMILESc1ccc(CC2CC/C2=N\CCCC/N=C2\CCC2Cc2ccccc2)cc1
InChIInChI=1S/C26H32N2/c1-3-9-21(10-4-1)19-23-13-15-25(23)27-17-7-8-18-28-26-16-14-24(26)20-22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2/b27-25+,28-26+
InChIKeyDBHLGNNPPZEQDQ-NBHCHVEOSA-N
XLogP5.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine?
The IUPAC name of 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine (CID 57276824) is 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine.
What is the SMILES notation for 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine?
The canonical SMILES for 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine is c1ccc(CC2CC/C2=N\CCCC/N=C2\CCC2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine?
The InChIKey is DBHLGNNPPZEQDQ-NBHCHVEOSA-N. The full InChI is InChI=1S/C26H32N2/c1-3-9-21(10-4-1)19-23-13-15-25(23)27-17-7-8-18-28-26-16-14-24(26)20-22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2/b27-25+,28-26+.
What are the key properties of 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine?
2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine has a molecular weight of 372.56 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine is sourced from PubChem (CID 57276824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).