N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine

C15H26N4 — CID 104670179

IUPACN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCc1nnc(C)cc1CNCCN1CCCCC1
InChIInChI=1S/C15H26N4/c1-3-15-14(11-13(2)17-18-15)12-16-7-10-19-8-5-4-6-9-19/h11,16H,3-10,12H2,1-2H3
InChIKeyIVWBITCQWHNOSV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.92
Rot. Bonds6

About N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine

N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 104670179) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID104670179
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCc1nnc(C)cc1CNCCN1CCCCC1
InChIInChI=1S/C15H26N4/c1-3-15-14(11-13(2)17-18-15)12-16-7-10-19-8-5-4-6-9-19/h11,16H,3-10,12H2,1-2H3
InChIKeyIVWBITCQWHNOSV-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.92
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-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 104670279
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
CID 104670150
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
CID 104670250
N-[(4-bromo-2-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 112699271
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 113406182
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 134545182

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine (CID 104670179) is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine is CCc1nnc(C)cc1CNCCN1CCCCC1.
What is the InChIKey of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is IVWBITCQWHNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-15-14(11-13(2)17-18-15)12-16-7-10-19-8-5-4-6-9-19/h11,16H,3-10,12H2,1-2H3.
What are the key properties of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 104670179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).