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'}

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Related Compounds

4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
CID 11427474
1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
CID 6412969
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
N-[4-(3,4-dimethylphenyl)phthalazin-1-yl]-N',N'-dimethylpropane-1,3-diamine;oxalic acid
CID 45042443
N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]-3-pyridinyl]acetamide
CID 135268489
N'-[4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-yl]-N-phenylethane-1,2-diamine
CID 135268106
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
1,4-bis[3-(dimethylamino)propylamino]benzo[g]phthalazine-5,10-dione;trihydrochloride
CID 19811416
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 46063488
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017

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).