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

C15H25N3O — CID 103374557

IUPACN-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)nn1)C1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-3-16-15(12-8-6-4-5-7-9-12)13-10-11-14(19-2)18-17-13/h10-12,15-16H,3-9H2,1-2H3
InChIKeyOGILIERUEKKLFO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.11
Rot. Bonds5

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

N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 103374557) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID103374557
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)nn1)C1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-3-16-15(12-8-6-4-5-7-9-12)13-10-11-14(19-2)18-17-13/h10-12,15-16H,3-9H2,1-2H3
InChIKeyOGILIERUEKKLFO-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine
CID 114255317
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
[(6-methoxypyridazin-3-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139737
N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654823
[2-cyclobutyl-1-(6-methoxypyridazin-3-yl)ethyl]hydrazine
CID 103375704
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268609
2-cyclobutyl-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374137
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 103374557) is N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine is CCNC(c1ccc(OC)nn1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is OGILIERUEKKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-16-15(12-8-6-4-5-7-9-12)13-10-11-14(19-2)18-17-13/h10-12,15-16H,3-9H2,1-2H3.
What are the key properties of N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine?
N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 103374557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).