N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine

C11H19N3O — CID 62291148

IUPACN-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC)nn1
InChIInChI=1S/C11H19N3O/c1-3-7-12-9-10-5-6-11(14-13-10)15-8-4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyDNBVLTYDADJKRE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds7

About N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine

N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine (PubChem CID 62291148) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
PubChem CID62291148
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC)nn1
InChIInChI=1S/C11H19N3O/c1-3-7-12-9-10-5-6-11(14-13-10)15-8-4-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyDNBVLTYDADJKRE-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
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

N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323500
N-methyl-1-[6-(2-propoxyethoxy)pyridazin-3-yl]methanamine
CID 63684783
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058768
N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
CID 55058665
2-methyl-N-[[6-(2-propoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 63685497
N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 64730805
3-ethoxy-6-propoxypyridazine
CID 163526291
N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058469
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862

Frequently Asked Questions

What is the IUPAC name of N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine (CID 62291148) is N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine is CCCNCc1ccc(OCCC)nn1.
What is the InChIKey of N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is DNBVLTYDADJKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7-12-9-10-5-6-11(14-13-10)15-8-4-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine?
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62291148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).