4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine

C12H21N3O — CID 106833950

IUPAC4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1cccnn1
InChIInChI=1S/C12H21N3O/c1-10(8-12(2,3)16-4)13-9-11-6-5-7-14-15-11/h5-7,10,13H,8-9H2,1-4H3
InChIKeyMXVSAQMPCRMWPJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds6

About 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine

4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine (PubChem CID 106833950) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine
PubChem CID106833950
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1cccnn1
InChIInChI=1S/C12H21N3O/c1-10(8-12(2,3)16-4)13-9-11-6-5-7-14-15-11/h5-7,10,13H,8-9H2,1-4H3
InChIKeyMXVSAQMPCRMWPJ-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine (CID 106833950) is 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine is COC(C)(C)CC(C)NCc1cccnn1.
What is the InChIKey of 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine?
The InChIKey is MXVSAQMPCRMWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(8-12(2,3)16-4)13-9-11-6-5-7-14-15-11/h5-7,10,13H,8-9H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine?
4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(pyridazin-3-ylmethyl)pentan-2-amine is sourced from PubChem (CID 106833950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).