N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine

C13H21N3O — CID 76938479

IUPACN-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC=CCOc1ccc(CNCC(C)C)nn1
InChIInChI=1S/C13H21N3O/c1-4-5-8-17-13-7-6-12(15-16-13)10-14-9-11(2)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyDGDIIGIZBWVHJR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds7

About N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine

N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 76938479) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID76938479
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
SMILESCC=CCOc1ccc(CNCC(C)C)nn1
InChIInChI=1S/C13H21N3O/c1-4-5-8-17-13-7-6-12(15-16-13)10-14-9-11(2)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyDGDIIGIZBWVHJR-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 104566336
2-methyl-N-[[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62290113
2-methyl-N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297550
N-[[6-(2,4-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62297972
2-methyl-N-[[6-(oxan-2-ylmethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62291749
N-[[6-(2,5-dimethylphenoxy)pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 62296786
2-methyl-N-[[6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116803056
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114199171
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 76997511
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148

Frequently Asked Questions

What is the IUPAC name of N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine (CID 76938479) is N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine is CC=CCOc1ccc(CNCC(C)C)nn1.
What is the InChIKey of N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is DGDIIGIZBWVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-8-17-13-7-6-12(15-16-13)10-14-9-11(2)3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine?
N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 76938479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).