N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C14H24N4 — CID 62285071

IUPACN-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCCC2C)nn1
InChIInChI=1S/C14H24N4/c1-3-9-15-11-13-7-8-14(17-16-13)18-10-5-4-6-12(18)2/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKeyYTKNMRQLIREOGM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds5

About N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62285071) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62285071
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCCC2C)nn1
InChIInChI=1S/C14H24N4/c1-3-9-15-11-13-7-8-14(17-16-13)18-10-5-4-6-12(18)2/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKeyYTKNMRQLIREOGM-UHFFFAOYSA-N
XLogP2.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
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-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
[6-(2-methylpyrrolidin-1-yl)pyridazin-3-yl]methanamine
CID 62299628
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
1-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62279015
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62294841
2-methyl-N-[[6-(2-propylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 83044693
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 62285071) is N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(N2CCCCC2C)nn1.
What is the InChIKey of N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is YTKNMRQLIREOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-9-15-11-13-7-8-14(17-16-13)18-10-5-4-6-12(18)2/h7-8,12,15H,3-6,9-11H2,1-2H3.
What are the key properties of N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62285071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).