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

C14H23N3O — CID 55058665

IUPACN-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCCCC2)nn1
InChIInChI=1S/C14H23N3O/c1-2-10-15-11-12-8-9-14(17-16-12)18-13-6-4-3-5-7-13/h8-9,13,15H,2-7,10-11H2,1H3
InChIKeyCBSPVQJLDMGFIF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.69
Rot. Bonds6

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

N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine (PubChem CID 55058665) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
PubChem CID55058665
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CCCCC2)nn1
InChIInChI=1S/C14H23N3O/c1-2-10-15-11-12-8-9-14(17-16-12)18-13-6-4-3-5-7-13/h8-9,13,15H,2-7,10-11H2,1H3
InChIKeyCBSPVQJLDMGFIF-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.69
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-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058768
N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058469
1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
CID 62297892
N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 64730805
N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
CID 107381855
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine (CID 55058665) is N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine is CCCNCc1ccc(OC2CCCCC2)nn1.
What is the InChIKey of N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is CBSPVQJLDMGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-10-15-11-12-8-9-14(17-16-12)18-13-6-4-3-5-7-13/h8-9,13,15H,2-7,10-11H2,1H3.
What are the key properties of N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine?
N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 55058665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).