2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C15H23N3 — CID 114246839

IUPAC2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)C1CC2CCC1C2
InChIInChI=1S/C15H23N3/c1-3-14-13(6-9(2)17-18-14)15(16)12-8-10-4-5-11(12)7-10/h6,10-12,15H,3-5,7-8,16H2,1-2H3
InChIKeyVDCMNJCPYXWYCW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.78
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine

2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 114246839) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID114246839
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)C1CC2CCC1C2
InChIInChI=1S/C15H23N3/c1-3-14-13(6-9(2)17-18-14)15(16)12-8-10-4-5-11(12)7-10/h6,10-12,15H,3-5,7-8,16H2,1-2H3
InChIKeyVDCMNJCPYXWYCW-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105176345
2-cyclopropyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105152857
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114247096
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
(3,5-dimethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105102866
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735
1-(3-ethyl-6-methylpyridazin-4-yl)prop-2-ynylhydrazine
CID 105315660
2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine
CID 130494531
1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156648

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 114246839) is 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is VDCMNJCPYXWYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-14-13(6-9(2)17-18-14)15(16)12-8-10-4-5-11(12)7-10/h6,10-12,15H,3-5,7-8,16H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 114246839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).