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

C17H23N3O — CID 62323500

IUPACN-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCCc2ccccc2)nn1
InChIInChI=1S/C17H23N3O/c1-2-12-18-14-16-10-11-17(20-19-16)21-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,18H,2,6,9,12-14H2,1H3
InChIKeyUDCRIEQHWBQHFV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.99
Rot. Bonds9

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

N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62323500) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62323500
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCCc2ccccc2)nn1
InChIInChI=1S/C17H23N3O/c1-2-12-18-14-16-10-11-17(20-19-16)21-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,18H,2,6,9,12-14H2,1H3
InChIKeyUDCRIEQHWBQHFV-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.99
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-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[6-(furan-3-yl)-5-(5-phenylpentoxy)-2-pyridinyl]methyl]propan-1-amine
CID 173472161
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
5-phenyl-N-propylpentan-1-amine
CID 62530615
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
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058768
N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
CID 55058665

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 62323500) is N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(OCCCc2ccccc2)nn1.
What is the InChIKey of N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is UDCRIEQHWBQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-12-18-14-16-10-11-17(20-19-16)21-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,18H,2,6,9,12-14H2,1H3.
What are the key properties of N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62323500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).