N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine

C16H25N3O — CID 106654823

IUPACN-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)c1ccc(OC)nn1
InChIInChI=1S/C16H25N3O/c1-3-17-16(13-9-7-5-4-6-8-10-13)14-11-12-15(20-2)19-18-14/h9,11-12,16-17H,3-8,10H2,1-2H3/b13-9+
InChIKeyHHTKEVDVFJECHM-UKTHLTGXSA-N
MW275.40 g/mol
LogP3.42
Rot. Bonds5

About N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine

N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 106654823) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID106654823
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)c1ccc(OC)nn1
InChIInChI=1S/C16H25N3O/c1-3-17-16(13-9-7-5-4-6-8-10-13)14-11-12-15(20-2)19-18-14/h9,11-12,16-17H,3-8,10H2,1-2H3/b13-9+
InChIKeyHHTKEVDVFJECHM-UKTHLTGXSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654822
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
N-[[(1E)-cycloocten-1-yl]-(3-methoxyphenyl)methyl]ethanamine
CID 106652417
N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
N-[(4-bromo-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656814
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
CID 106652433
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 103374557
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 106657298
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706

Frequently Asked Questions

What is the IUPAC name of N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 106654823) is N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine is CCNC(/C1=C/CCCCCC1)c1ccc(OC)nn1.
What is the InChIKey of N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is HHTKEVDVFJECHM-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-17-16(13-9-7-5-4-6-8-10-13)14-11-12-15(20-2)19-18-14/h9,11-12,16-17H,3-8,10H2,1-2H3/b13-9+.
What are the key properties of N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine?
N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106654823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).