N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine

C15H25N3 — CID 105079539

IUPACN-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1C)C1CCCCC1
InChIInChI=1S/C15H25N3/c1-4-16-15(13-8-6-5-7-9-13)14-10-11(2)17-18-12(14)3/h10,13,15-16H,4-9H2,1-3H3
InChIKeyYHQKEDGWRVCSQY-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.32
Rot. Bonds4

About N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine

N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine (PubChem CID 105079539) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
PubChem CID105079539
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1C)C1CCCCC1
InChIInChI=1S/C15H25N3/c1-4-16-15(13-8-6-5-7-9-13)14-10-11(2)17-18-12(14)3/h10,13,15-16H,4-9H2,1-3H3
InChIKeyYHQKEDGWRVCSQY-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105157145
N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105079704
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155357
2-cyclopropyl-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105152783
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 105151150
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine (CID 105079539) is N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine is CCNC(c1cc(C)nnc1C)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
The InChIKey is YHQKEDGWRVCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-15(13-8-6-5-7-9-13)14-10-11(2)17-18-12(14)3/h10,13,15-16H,4-9H2,1-3H3.
What are the key properties of N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105079539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).