6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine

C₁₄H₂₄ClN₃O — CID 55127400

About 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine

6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 55127400) has the molecular formula C₁₄H₂₄ClN₃O and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
• PubChem CID: 55127400
• Molecular Formula: C₁₄H₂₄ClN₃O
• Molecular Weight: 285.82 g/mol
• Exact Mass: 285.16
• IUPAC Name: 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
• SMILES: CCC(C)N(CCOC)Cc1nc(NC)ccc1Cl
• InChI: InChI=1S/C14H24ClN3O/c1-5-11(2)18(8-9-19-4)10-13-12(15)6-7-14(16-3)17-13/h6-7,11H,5,8-10H2,1-4H3,(H,16,17)
• InChIKey: VGGLLPKWOHJCEV-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 37.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.82
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?

The IUPAC name of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine (CID 55127400) is 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine.

What is the SMILES notation for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?

The canonical SMILES for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine is CCC(C)N(CCOC)Cc1nc(NC)ccc1Cl.

What is the InChIKey of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?

The InChIKey is VGGLLPKWOHJCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-11(2)18(8-9-19-4)10-13-12(15)6-7-14(16-3)17-13/h6-7,11H,5,8-10H2,1-4H3,(H,16,17).

What are the key properties of 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine?

6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 285.82 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 55127400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55127400 — identifiers, structure, computed properties (public domain)

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