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

C14H21N3O — CID 106654822

IUPACN-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccc(OC)nn1
InChIInChI=1S/C14H21N3O/c1-3-15-14(11-7-5-4-6-8-11)12-9-10-13(18-2)17-16-12/h7,9-10,14-15H,3-6,8H2,1-2H3
InChIKeyBLYHEZUFMRYXNO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds5

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

N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 106654822) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID106654822
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccc(OC)nn1
InChIInChI=1S/C14H21N3O/c1-3-15-14(11-7-5-4-6-8-11)12-9-10-13(18-2)17-16-12/h7,9-10,14-15H,3-6,8H2,1-2H3
InChIKeyBLYHEZUFMRYXNO-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
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-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654823
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514
N-[[(1E)-cycloocten-1-yl]-(3-methoxyphenyl)methyl]ethanamine
CID 106652417
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-[(4-bromo-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656814
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
CID 106652433
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 106654822) is N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine is CCNC(C1=CCCCC1)c1ccc(OC)nn1.
What is the InChIKey of N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is BLYHEZUFMRYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-15-14(11-7-5-4-6-8-11)12-9-10-13(18-2)17-16-12/h7,9-10,14-15H,3-6,8H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106654822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).