6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine

C15H28N4O — CID 62283025

IUPAC6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
SMILESCCN(c1ccc(CNC(C)(C)C)nn1)C(C)COC
InChIInChI=1S/C15H28N4O/c1-7-19(12(2)11-20-6)14-9-8-13(17-18-14)10-16-15(3,4)5/h8-9,12,16H,7,10-11H2,1-6H3
InChIKeyJUJANQFNDUWPIU-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.23
Rot. Bonds7

About 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine

6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine (PubChem CID 62283025) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
PubChem CID62283025
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
SMILESCCN(c1ccc(CNC(C)(C)C)nn1)C(C)COC
InChIInChI=1S/C15H28N4O/c1-7-19(12(2)11-20-6)14-9-8-13(17-18-14)10-16-15(3,4)5/h8-9,12,16H,7,10-11H2,1-6H3
InChIKeyJUJANQFNDUWPIU-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine (CID 62283025) is 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine is CCN(c1ccc(CNC(C)(C)C)nn1)C(C)COC.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine?
The InChIKey is JUJANQFNDUWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-19(12(2)11-20-6)14-9-8-13(17-18-14)10-16-15(3,4)5/h8-9,12,16H,7,10-11H2,1-6H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine?
6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 62283025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).