N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine

C23H28N4 — CID 10713570

IUPACN'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
SMILESCN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1
InChIInChI=1S/C23H28N4/c1-27(19-20-11-5-2-6-12-20)18-10-4-9-17-24-23-16-15-22(25-26-23)21-13-7-3-8-14-21/h2-3,5-8,11-16H,4,9-10,17-19H2,1H3,(H,24,26)
InChIKeySQNCNIUGPOSVQF-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.86
Rot. Bonds10

About N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine

N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine (PubChem CID 10713570) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
PubChem CID10713570
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC NameN'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
SMILESCN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1
InChIInChI=1S/C23H28N4/c1-27(19-20-11-5-2-6-12-20)18-10-4-9-17-24-23-16-15-22(25-26-23)21-13-7-3-8-14-21/h2-3,5-8,11-16H,4,9-10,17-19H2,1H3,(H,24,26)
InChIKeySQNCNIUGPOSVQF-UHFFFAOYSA-N
XLogP4.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine (CID 10713570) is N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine is CN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine?
The InChIKey is SQNCNIUGPOSVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-27(19-20-11-5-2-6-12-20)18-10-4-9-17-24-23-16-15-22(25-26-23)21-13-7-3-8-14-21/h2-3,5-8,11-16H,4,9-10,17-19H2,1H3,(H,24,26).
What are the key properties of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine?
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine has a molecular weight of 360.51 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine is sourced from PubChem (CID 10713570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).