2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine

C₁₅H₃₂N₂ — CID 107887847

About 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine

2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 107887847) has the molecular formula C₁₅H₃₂N₂ and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
• PubChem CID: 107887847
• Molecular Formula: C₁₅H₃₂N₂
• Molecular Weight: 240.43 g/mol
• Exact Mass: 240.26
• IUPAC Name: 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
• SMILES: CCCC(C)N1CCCC(CNC(C)(C)C)C1
• InChI: InChI=1S/C15H32N2/c1-6-8-13(2)17-10-7-9-14(12-17)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
• InChIKey: BRQURTQMJKHLAJ-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.43
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine (CID 107887847) is 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine is CCCC(C)N1CCCC(CNC(C)(C)C)C1.

What is the InChIKey of 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine?

The InChIKey is BRQURTQMJKHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-8-13(2)17-10-7-9-14(12-17)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3.

What are the key properties of 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine?

2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 107887847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107887847 — identifiers, structure, computed properties (public domain)

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