N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine

C16H27N3O — CID 64730805

IUPACN-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CC(C)CC(C)C2)nn1
InChIInChI=1S/C16H27N3O/c1-4-7-17-11-14-5-6-16(19-18-14)20-15-9-12(2)8-13(3)10-15/h5-6,12-13,15,17H,4,7-11H2,1-3H3
InChIKeyPNKSZSGKUCLZHA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.18
Rot. Bonds6

About N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine

N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine (PubChem CID 64730805) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
PubChem CID64730805
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC2CC(C)CC(C)C2)nn1
InChIInChI=1S/C16H27N3O/c1-4-7-17-11-14-5-6-16(19-18-14)20-15-9-12(2)8-13(3)10-15/h5-6,12-13,15,17H,4,7-11H2,1-3H3
InChIKeyPNKSZSGKUCLZHA-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.18
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-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
CID 55058665
N-[[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058469
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303
1-(6-cycloheptyloxypyridazin-3-yl)-N-methylmethanamine
CID 62297892
N-[[5-(3,5-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]ethanamine
CID 107382222
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine
CID 61255586
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[[6-(3-phenylpropoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323500
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine (CID 64730805) is N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(OC2CC(C)CC(C)C2)nn1.
What is the InChIKey of N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is PNKSZSGKUCLZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-7-17-11-14-5-6-16(19-18-14)20-15-9-12(2)8-13(3)10-15/h5-6,12-13,15,17H,4,7-11H2,1-3H3.
What are the key properties of N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 64730805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).