2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine

C19H28N2O2 — CID 91390198

About 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine

2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine (PubChem CID 91390198) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine.

Molecular Properties

• Compound Name: 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine
• PubChem CID: 91390198
• Molecular Formula: C19H28N2O2
• Molecular Weight: 316.44 g/mol
• Exact Mass: 316.22
• IUPAC Name: 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine
• SMILES: CN1CCCC1CCNC(CC1=CC=CCC1)C1=COC=CO1
• InChI: InChI=1S/C19H28N2O2/c1-21-11-5-8-17(21)9-10-20-18(19-15-22-12-13-23-19)14-16-6-3-2-4-7-16/h2-3,6,12-13,15,17-18,20H,4-5,7-11,14H2,1H3
• InChIKey: GBYQDSCCSDDLDC-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine?

The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine (CID 91390198) is 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine.

What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine?

The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine is CN1CCCC1CCNC(CC1=CC=CCC1)C1=COC=CO1.

What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine?

The InChIKey is GBYQDSCCSDDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-21-11-5-8-17(21)9-10-20-18(19-15-22-12-13-23-19)14-16-6-3-2-4-7-16/h2-3,6,12-13,15,17-18,20H,4-5,7-11,14H2,1H3.

What are the key properties of 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine?

2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine has a molecular weight of 316.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 91390198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).