2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

C₁₀H₁₇NO — CID 163914886

About 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 163914886) has the molecular formula C₁₀H₁₇NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
• PubChem CID: 163914886
• Molecular Formula: C₁₀H₁₇NO
• Molecular Weight: 167.25 g/mol
• Exact Mass: 167.13
• IUPAC Name: 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
• SMILES: COC1=CC(CCN(C)C)=CC1
• InChI: InChI=1S/C10H17NO/c1-11(2)7-6-9-4-5-10(8-9)12-3/h4,8H,5-7H2,1-3H3
• InChIKey: QVJHKXCSIZIVJI-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.25
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?

The IUPAC name of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 163914886) is 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

What is the SMILES notation for 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?

The canonical SMILES for 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is COC1=CC(CCN(C)C)=CC1.

What is the InChIKey of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?

The InChIKey is QVJHKXCSIZIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)7-6-9-4-5-10(8-9)12-3/h4,8H,5-7H2,1-3H3.

What are the key properties of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?

2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 163914886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163914886 — identifiers, structure, computed properties (public domain)

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