N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine

C15H25N3O — CID 55058768

IUPACN-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCC(C)CC2)nn1
InChIInChI=1S/C15H25N3O/c1-3-10-16-11-13-6-9-15(18-17-13)19-14-7-4-12(2)5-8-14/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyZSFKAOGCIVOFCT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds6

About N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine

N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine (PubChem CID 55058768) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
PubChem CID55058768
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCC(C)CC2)nn1
InChIInChI=1S/C15H25N3O/c1-3-10-16-11-13-6-9-15(18-17-13)19-14-7-4-12(2)5-8-14/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyZSFKAOGCIVOFCT-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
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-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
CID 55058665
N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 64730805
N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058469
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303
3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine
CID 61255586
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
CID 62297892
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
CID 107381855

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine (CID 55058768) is N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(OC2CCC(C)CC2)nn1.
What is the InChIKey of N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is ZSFKAOGCIVOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-10-16-11-13-6-9-15(18-17-13)19-14-7-4-12(2)5-8-14/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55058768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).