N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine

C11H20N4 — CID 104670250

IUPACN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
SMILESCCc1nnc(C)cc1CNCCCN
InChIInChI=1S/C11H20N4/c1-3-11-10(7-9(2)14-15-11)8-13-6-4-5-12/h7,13H,3-6,8,12H2,1-2H3
InChIKeyPZEKZWQTYLOZAJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.79
Rot. Bonds6

About N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine

N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine (PubChem CID 104670250) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
PubChem CID104670250
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
SMILESCCc1nnc(C)cc1CNCCCN
InChIInChI=1S/C11H20N4/c1-3-11-10(7-9(2)14-15-11)8-13-6-4-5-12/h7,13H,3-6,8,12H2,1-2H3
InChIKeyPZEKZWQTYLOZAJ-UHFFFAOYSA-N
XLogP0.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
CID 104670150
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 104670279
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 104670179
4-(bromomethyl)-3-ethyl-6-methylpyridazine
CID 104671100
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 104670228
2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 104670206
N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621010
N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197180
N'-[4-[[3-[[4-(4-aminobutylamino)butylamino]methyl]-5-ethylphenyl]methylamino]butyl]butane-1,4-diamine
CID 118579761
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 60888177
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine (CID 104670250) is N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine is CCc1nnc(C)cc1CNCCCN.
What is the InChIKey of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine?
The InChIKey is PZEKZWQTYLOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-11-10(7-9(2)14-15-11)8-13-6-4-5-12/h7,13H,3-6,8,12H2,1-2H3.
What are the key properties of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine?
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 104670250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).