N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine

C11H20N4 — CID 104670165

IUPACN'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCc1ccnnc1
InChIInChI=1S/C11H20N4/c1-10(2)7-12-5-6-13-8-11-3-4-14-15-9-11/h3-4,9-10,12-13H,5-8H2,1-2H3
InChIKeyTUTULYGKCKCNOW-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.81
Rot. Bonds7

About N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine

N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 104670165) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine
PubChem CID104670165
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCc1ccnnc1
InChIInChI=1S/C11H20N4/c1-10(2)7-12-5-6-13-8-11-3-4-14-15-9-11/h3-4,9-10,12-13H,5-8H2,1-2H3
InChIKeyTUTULYGKCKCNOW-UHFFFAOYSA-N
XLogP0.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.81
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-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670151
N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104670189
(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104867606
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
N-[(3-bromo-4-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405445
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102915345
N-[(3-bromo-5-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113460567
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine (CID 104670165) is N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine is CC(C)CNCCNCc1ccnnc1.
What is the InChIKey of N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is TUTULYGKCKCNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2)7-12-5-6-13-8-11-3-4-14-15-9-11/h3-4,9-10,12-13H,5-8H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 104670165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).