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

C23H29ClN4 — CID 45265420

IUPACN'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride
SMILESCN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1.Cl
InChIInChI=1S/C23H28N4.ClH/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);1H
InChIKeyFATRFAFFOORVNP-UHFFFAOYSA-N
MW396.97 g/mol
LogP5.28
Rot. Bonds10

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

N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride (PubChem CID 45265420) has the molecular formula C23H29ClN4 and a molecular weight of 396.97 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride
PubChem CID45265420
Molecular FormulaC23H29ClN4
Molecular Weight396.97 g/mol
Exact Mass396.21
IUPAC NameN'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride
SMILESCN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1.Cl
InChIInChI=1S/C23H28N4.ClH/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);1H
InChIKeyFATRFAFFOORVNP-UHFFFAOYSA-N
XLogP5.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.97
LogP ≤ 55.28
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;hydrochloride?
The IUPAC name of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride (CID 45265420) is N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride is CN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1.Cl.
What is the InChIKey of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride?
The InChIKey is FATRFAFFOORVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4.ClH/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);1H.
What are the key properties of N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride?
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine;hydrochloride has a molecular weight of 396.97 g/mol, XLogP of 5.28, 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;hydrochloride is sourced from PubChem (CID 45265420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).