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

C23H28N4 — CID 59867559

IUPACN'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine
SMILESCc1cc(NCCCCCN(C)c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C23H28N4/c1-19-18-22(25-26-23(19)20-12-6-3-7-13-20)24-16-10-5-11-17-27(2)21-14-8-4-9-15-21/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,24,25)
InChIKeyYSMCXOAGVGQMSK-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.17
Rot. Bonds9

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

N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine (PubChem CID 59867559) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine
PubChem CID59867559
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC NameN'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine
SMILESCc1cc(NCCCCCN(C)c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C23H28N4/c1-19-18-22(25-26-23(19)20-12-6-3-7-13-20)24-16-10-5-11-17-27(2)21-14-8-4-9-15-21/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,24,25)
InChIKeyYSMCXOAGVGQMSK-UHFFFAOYSA-N
XLogP5.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 55.17
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'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine?
The IUPAC name of N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine (CID 59867559) is N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine?
The canonical SMILES for N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine is Cc1cc(NCCCCCN(C)c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine?
The InChIKey is YSMCXOAGVGQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-19-18-22(25-26-23(19)20-12-6-3-7-13-20)24-16-10-5-11-17-27(2)21-14-8-4-9-15-21/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,24,25).
What are the key properties of N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine?
N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine has a molecular weight of 360.51 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine is sourced from PubChem (CID 59867559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).