N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C17H30N4 — CID 63160096

IUPACN-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCC(CC)(CC)CC2)nn1
InChIInChI=1S/C17H30N4/c1-4-11-18-14-15-7-8-16(20-19-15)21-12-9-17(5-2,6-3)10-13-21/h7-8,18H,4-6,9-14H2,1-3H3
InChIKeyFYSQADSMLHCGEP-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.38
Rot. Bonds7

About N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 63160096) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID63160096
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCC(CC)(CC)CC2)nn1
InChIInChI=1S/C17H30N4/c1-4-11-18-14-15-7-8-16(20-19-15)21-12-9-17(5-2,6-3)10-13-21/h7-8,18H,4-6,9-14H2,1-3H3
InChIKeyFYSQADSMLHCGEP-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.38
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-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-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
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-(7,7-dimethyl-1,4-thiazepan-4-yl)pyridazin-3-yl]methyl]ethanamine
CID 107459537
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63026518
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-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 63160096) is N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(N2CCC(CC)(CC)CC2)nn1.
What is the InChIKey of N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is FYSQADSMLHCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-11-18-14-15-7-8-16(20-19-15)21-12-9-17(5-2,6-3)10-13-21/h7-8,18H,4-6,9-14H2,1-3H3.
What are the key properties of N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63160096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).