N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine

C16H27N3 — CID 105079704

IUPACN-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1CC)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-4-15-14(11-12(3)18-19-15)16(17-5-2)13-9-7-6-8-10-13/h11,13,16-17H,4-10H2,1-3H3
InChIKeyOEPDEUKMGDVJQC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds5

About N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine

N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine (PubChem CID 105079704) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
PubChem CID105079704
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1CC)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-4-15-14(11-12(3)18-19-15)16(17-5-2)13-9-7-6-8-10-13/h11,13,16-17H,4-10H2,1-3H3
InChIKeyOEPDEUKMGDVJQC-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105079539
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105176345
N-[cyclopropyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105157145
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153848
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
2-cyclopropyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105152857
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine (CID 105079704) is N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine is CCNC(c1cc(C)nnc1CC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
The InChIKey is OEPDEUKMGDVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-15-14(11-12(3)18-19-15)16(17-5-2)13-9-7-6-8-10-13/h11,13,16-17H,4-10H2,1-3H3.
What are the key properties of N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).