(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine

C13H21N3O — CID 114268609

IUPAC(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)C2CCCC2)nn1
InChIInChI=1S/C13H21N3O/c1-10(11-5-3-4-6-11)14-9-12-7-8-13(17-2)16-15-12/h7-8,10-11,14H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyYNZOMHKJYIQYPI-SNVBAGLBSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds5

About (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine

(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine (PubChem CID 114268609) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
PubChem CID114268609
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)C2CCCC2)nn1
InChIInChI=1S/C13H21N3O/c1-10(11-5-3-4-6-11)14-9-12-7-8-13(17-2)16-15-12/h7-8,10-11,14H,3-6,9H2,1-2H3/t10-/m1/s1
InChIKeyYNZOMHKJYIQYPI-SNVBAGLBSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine (CID 114268609) is (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine is COc1ccc(CN[C@H](C)C2CCCC2)nn1.
What is the InChIKey of (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
The InChIKey is YNZOMHKJYIQYPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(11-5-3-4-6-11)14-9-12-7-8-13(17-2)16-15-12/h7-8,10-11,14H,3-6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine?
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 114268609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).