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

C14H24N4O — CID 102967726

IUPACN-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCC(OC)C2)nn1
InChIInChI=1S/C14H24N4O/c1-3-8-15-10-12-6-7-14(17-16-12)18-9-4-5-13(11-18)19-2/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeyPBLMDGPWRRBIDH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds6

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

N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 102967726) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID102967726
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCC(OC)C2)nn1
InChIInChI=1S/C14H24N4O/c1-3-8-15-10-12-6-7-14(17-16-12)18-9-4-5-13(11-18)19-2/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeyPBLMDGPWRRBIDH-UHFFFAOYSA-N
XLogP1.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3-ethoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62287676
N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62288558
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
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[[6-(3-propoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62288559
N-[[6-(3-methoxypyrrolidin-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 103539437
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63160096
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
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-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 102967726) is N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(N2CCCC(OC)C2)nn1.
What is the InChIKey of N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is PBLMDGPWRRBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-15-10-12-6-7-14(17-16-12)18-9-4-5-13(11-18)19-2/h6-7,13,15H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 102967726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).