N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine

C33H36N4 — CID 123599091

IUPACN-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
SMILESCC(CC(C)=NN(Cc1ccccc1)Cc1ccccc1)=NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N4/c1-28(34-36(24-30-15-7-3-8-16-30)25-31-17-9-4-10-18-31)23-29(2)35-37(26-32-19-11-5-12-20-32)27-33-21-13-6-14-22-33/h3-22H,23-27H2,1-2H3
InChIKeyXPFBJBCEEUGWLF-UHFFFAOYSA-N
MW488.68 g/mol
LogP7.53
Rot. Bonds12

About N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine

N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine (PubChem CID 123599091) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
PubChem CID123599091
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC NameN-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
SMILESCC(CC(C)=NN(Cc1ccccc1)Cc1ccccc1)=NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N4/c1-28(34-36(24-30-15-7-3-8-16-30)25-31-17-9-4-10-18-31)23-29(2)35-37(26-32-19-11-5-12-20-32)27-33-21-13-6-14-22-33/h3-22H,23-27H2,1-2H3
InChIKeyXPFBJBCEEUGWLF-UHFFFAOYSA-N
XLogP7.53
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 57.53
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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Related Compounds

4-[benzyl(methyl)hydrazinylidene]pentan-2-one
CID 140633095
N-benzyl-N-[(E)-[(3Z,4E)-3,4-bis(dibenzylhydrazinylidene)hexan-2-ylidene]amino]-1-phenylmethanamine
CID 89456137
(NZ)-N-[1-[benzyl-[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134858396
N-[1-[benzyl(2-hydroxyiminopropyl)amino]propan-2-ylidene]hydroxylamine
CID 71426108
N-[(E)-[(3E)-3-[benzyl(trimethylsilyl)hydrazinylidene]butan-2-ylidene]amino]-1-phenyl-N-trimethylsilylmethanamine
CID 89456201
5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 172942191
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
N-benzyl-N-[(E)-[(3Z)-3-(dibenzylhydrazinylidene)propylidene]amino]-1-phenylmethanamine
CID 89455970
N-benzyl-N-(2-hydroxypropyl)nitrous amide
CID 12684762
CID 101396713
CID 101396713
3-benzyliminobutanoic acid
CID 23175618

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine (CID 123599091) is N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine is CC(CC(C)=NN(Cc1ccccc1)Cc1ccccc1)=NN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine?
The InChIKey is XPFBJBCEEUGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4/c1-28(34-36(24-30-15-7-3-8-16-30)25-31-17-9-4-10-18-31)23-29(2)35-37(26-32-19-11-5-12-20-32)27-33-21-13-6-14-22-33/h3-22H,23-27H2,1-2H3.
What are the key properties of N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine?
N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine has a molecular weight of 488.68 g/mol, XLogP of 7.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 123599091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).