6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine

C16H28N4O — CID 62289414

IUPAC6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine
SMILESCCC(CC)N(CCOC)c1ccc(CNC2CC2)nn1
InChIInChI=1S/C16H28N4O/c1-4-15(5-2)20(10-11-21-3)16-9-8-14(18-19-16)12-17-13-6-7-13/h8-9,13,15,17H,4-7,10-12H2,1-3H3
InChIKeyLEGPUCMZXXJYBD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.37
Rot. Bonds10

About 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine

6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine (PubChem CID 62289414) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine
PubChem CID62289414
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine
SMILESCCC(CC)N(CCOC)c1ccc(CNC2CC2)nn1
InChIInChI=1S/C16H28N4O/c1-4-15(5-2)20(10-11-21-3)16-9-8-14(18-19-16)12-17-13-6-7-13/h8-9,13,15,17H,4-7,10-12H2,1-3H3
InChIKeyLEGPUCMZXXJYBD-UHFFFAOYSA-N
XLogP2.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine (CID 62289414) is 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine is CCC(CC)N(CCOC)c1ccc(CNC2CC2)nn1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine?
The InChIKey is LEGPUCMZXXJYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-15(5-2)20(10-11-21-3)16-9-8-14(18-19-16)12-17-13-6-7-13/h8-9,13,15,17H,4-7,10-12H2,1-3H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine?
6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine is sourced from PubChem (CID 62289414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).