N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine

C₁₇H₂₉N — CID 43491139

About N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine

N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 43491139) has the molecular formula C₁₇H₂₉N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

• Compound Name: N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
• PubChem CID: 43491139
• Molecular Formula: C₁₇H₂₉N
• Molecular Weight: 247.43 g/mol
• Exact Mass: 247.23
• IUPAC Name: N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
• SMILES: CCNC(CC(C)(C)C)c1c(C)cc(C)cc1C
• InChI: InChI=1S/C17H29N/c1-8-18-15(11-17(5,6)7)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,8,11H2,1-7H3
• InChIKey: YSXDONXJARJGGH-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.43
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?

The IUPAC name of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine (CID 43491139) is N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine.

What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?

The canonical SMILES for N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine is CCNC(CC(C)(C)C)c1c(C)cc(C)cc1C.

What is the InChIKey of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?

The InChIKey is YSXDONXJARJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-8-18-15(11-17(5,6)7)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,8,11H2,1-7H3.

What are the key properties of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?

N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 43491139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43491139 — identifiers, structure, computed properties (public domain)

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