cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C15H25N3 — CID 105176345

IUPACcycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)C1CCCCCC1
InChIInChI=1S/C15H25N3/c1-3-14-13(10-11(2)17-18-14)15(16)12-8-6-4-5-7-9-12/h10,12,15H,3-9,16H2,1-2H3
InChIKeyPWDWJAFDOVUYKF-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.32
Rot. Bonds3

About cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine

cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 105176345) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID105176345
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Namecycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)C1CCCCCC1
InChIInChI=1S/C15H25N3/c1-3-14-13(10-11(2)17-18-14)15(16)12-8-6-4-5-7-9-12/h10,12,15H,3-9,16H2,1-2H3
InChIKeyPWDWJAFDOVUYKF-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105079704
2-cyclopropyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105152857
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 114246839
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156648
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153848
(3,5-dimethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105102866
1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpentan-1-amine
CID 107894057
N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105079539

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 105176345) is cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is PWDWJAFDOVUYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-14-13(10-11(2)17-18-14)15(16)12-8-6-4-5-7-9-12/h10,12,15H,3-9,16H2,1-2H3.
What are the key properties of cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 247.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 105176345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).