N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine

C₁₆H₂₉N₃ — CID 105072707

About N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine

N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine (PubChem CID 105072707) has the molecular formula C₁₆H₂₉N₃ and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine.

Molecular Properties

• Compound Name: N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
• PubChem CID: 105072707
• Molecular Formula: C₁₆H₂₉N₃
• Molecular Weight: 263.43 g/mol
• Exact Mass: 263.24
• IUPAC Name: N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine
• SMILES: CCCCN(CC)c1cnccc1CNC(C)(C)C
• InChI: InChI=1S/C16H29N3/c1-6-8-11-19(7-2)15-13-17-10-9-14(15)12-18-16(3,4)5/h9-10,13,18H,6-8,11-12H2,1-5H3
• InChIKey: YPDSBTYTQDZJRO-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.43
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?

The IUPAC name of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine (CID 105072707) is N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine.

What is the SMILES notation for N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?

The canonical SMILES for N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine is CCCCN(CC)c1cnccc1CNC(C)(C)C.

What is the InChIKey of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?

The InChIKey is YPDSBTYTQDZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-8-11-19(7-2)15-13-17-10-9-14(15)12-18-16(3,4)5/h9-10,13,18H,6-8,11-12H2,1-5H3.

What are the key properties of N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine?

N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine has a molecular weight of 263.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[(tert-butylamino)methyl]-N-ethylpyridin-3-amine is sourced from PubChem (CID 105072707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105072707 — identifiers, structure, computed properties (public domain)

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