N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine

C14H25N3O3 — CID 104566336

IUPACN-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCOc1ccc(CNCC(C)C)nn1
InChIInChI=1S/C14H25N3O3/c1-12(2)10-15-11-13-4-5-14(17-16-13)20-9-8-19-7-6-18-3/h4-5,12,15H,6-11H2,1-3H3
InChIKeyYVHGKHGATKYBMQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.26
Rot. Bonds11

About N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine

N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104566336) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID104566336
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCOc1ccc(CNCC(C)C)nn1
InChIInChI=1S/C14H25N3O3/c1-12(2)10-15-11-13-4-5-14(17-16-13)20-9-8-19-7-6-18-3/h4-5,12,15H,6-11H2,1-3H3
InChIKeyYVHGKHGATKYBMQ-UHFFFAOYSA-N
XLogP1.26
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
2-methyl-N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297550
N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
CID 76938479
2-methyl-N-[[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62290113
[6-[3-(2-methoxyethoxy)propoxy]pyridazin-3-yl]methanamine
CID 103405953
N-[[6-(2-butoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 55058292
N-methyl-1-[6-(2-propoxyethoxy)pyridazin-3-yl]methanamine
CID 63684783
N-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972
2-methyl-N-[[6-(2-propoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 63685497
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
2-methyl-N-[[6-(oxan-2-ylmethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62291749

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine (CID 104566336) is N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine is COCCOCCOc1ccc(CNCC(C)C)nn1.
What is the InChIKey of N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YVHGKHGATKYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-12(2)10-15-11-13-4-5-14(17-16-13)20-9-8-19-7-6-18-3/h4-5,12,15H,6-11H2,1-3H3.
What are the key properties of N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.26, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104566336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).