N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine

C31H32N4 — CID 89455970

IUPACN-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine
SMILESC(\C/C=N/N(Cc1ccccc1)Cc1ccccc1)=N\N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H32N4/c1-5-14-28(15-6-1)24-34(25-29-16-7-2-8-17-29)32-22-13-23-33-35(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-23H,13,24-27H2/b32-22-,33-23+
InChIKeyRJLOKBIYOJRFSV-BDZLSRGKSA-N
MW460.63 g/mol
LogP6.75
Rot. Bonds12

About N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine

N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine (PubChem CID 89455970) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine
PubChem CID89455970
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC NameN-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine
SMILESC(\C/C=N/N(Cc1ccccc1)Cc1ccccc1)=N\N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H32N4/c1-5-14-28(15-6-1)24-34(25-29-16-7-2-8-17-29)32-22-13-23-33-35(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-23H,13,24-27H2/b32-22-,33-23+
InChIKeyRJLOKBIYOJRFSV-BDZLSRGKSA-N
XLogP6.75
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine (CID 89455970) is N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine is C(\C/C=N/N(Cc1ccccc1)Cc1ccccc1)=N\N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine?
The InChIKey is RJLOKBIYOJRFSV-BDZLSRGKSA-N. The full InChI is InChI=1S/C31H32N4/c1-5-14-28(15-6-1)24-34(25-29-16-7-2-8-17-29)32-22-13-23-33-35(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-23H,13,24-27H2/b32-22-,33-23+.
What are the key properties of N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine?
N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine has a molecular weight of 460.63 g/mol, XLogP of 6.75, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine is sourced from PubChem (CID 89455970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).