N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine

C20H24N4 — CID 6411531

IUPACN-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nnc(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H24N4/c1-24(2)14-8-13-21-20-18-12-7-6-11-17(18)19(22-23-20)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,21,23)
InChIKeyNRVCLFHBJAVGCB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.58
Rot. Bonds7

About N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine

N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 6411531) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID6411531
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nnc(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H24N4/c1-24(2)14-8-13-21-20-18-12-7-6-11-17(18)19(22-23-20)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,21,23)
InChIKeyNRVCLFHBJAVGCB-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine (CID 6411531) is N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nnc(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is NRVCLFHBJAVGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-24(2)14-8-13-21-20-18-12-7-6-11-17(18)19(22-23-20)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3,(H,21,23).
What are the key properties of N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 320.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphthalazin-1-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 6411531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).