N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine

C₁₃H₂₅N₃O — CID 116715779

About N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine (PubChem CID 116715779) has the molecular formula C₁₃H₂₅N₃O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine.

Molecular Properties

• Compound Name: N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
• PubChem CID: 116715779
• Molecular Formula: C₁₃H₂₅N₃O
• Molecular Weight: 239.36 g/mol
• Exact Mass: 239.20
• IUPAC Name: N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
• SMILES: CCNC(Cc1nccn1CC)C(CC)OC
• InChI: InChI=1S/C13H25N3O/c1-5-12(17-4)11(14-6-2)10-13-15-8-9-16(13)7-3/h8-9,11-12,14H,5-7,10H2,1-4H3
• InChIKey: YNXBMCIOPYKDAT-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 39.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.36
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?

The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine (CID 116715779) is N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine.

What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?

The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine is CCNC(Cc1nccn1CC)C(CC)OC.

What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?

The InChIKey is YNXBMCIOPYKDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-12(17-4)11(14-6-2)10-13-15-8-9-16(13)7-3/h8-9,11-12,14H,5-7,10H2,1-4H3.

What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine?

N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116715779 — identifiers, structure, computed properties (public domain)

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