2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine

C13H19N3O — CID 114268637

IUPAC2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCOc1ccc(CNCCC2=CCCC2)nn1
InChIInChI=1S/C13H19N3O/c1-17-13-7-6-12(15-16-13)10-14-9-8-11-4-2-3-5-11/h4,6-7,14H,2-3,5,8-10H2,1H3
InChIKeyJVIBFTWFEIWXLC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.08
Rot. Bonds6

About 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 114268637) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID114268637
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCOc1ccc(CNCCC2=CCCC2)nn1
InChIInChI=1S/C13H19N3O/c1-17-13-7-6-12(15-16-13)10-14-9-8-11-4-2-3-5-11/h4,6-7,14H,2-3,5,8-10H2,1H3
InChIKeyJVIBFTWFEIWXLC-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
CID 106177618
5-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-methoxybenzonitrile
CID 103845317
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
2-(cyclohexen-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 18778647
2-(cyclopenten-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 103845268
methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
CID 103923811
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56676258
2-(cyclohexen-1-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43766350
2-(cyclopenten-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 103845310
2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 115762902

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 114268637) is 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine is COc1ccc(CNCCC2=CCCC2)nn1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is JVIBFTWFEIWXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-13-7-6-12(15-16-13)10-14-9-8-11-4-2-3-5-11/h4,6-7,14H,2-3,5,8-10H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 114268637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).