3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine

C29H37N3O2 — CID 22278714

About 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine

3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine (PubChem CID 22278714) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine
• PubChem CID: 22278714
• Molecular Formula: C29H37N3O2
• Molecular Weight: 459.63 g/mol
• Exact Mass: 459.29
• IUPAC Name: 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine
• SMILES: CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1NC(CCOC)c1ccccc1
• InChI: InChI=1S/C29H37N3O2/c1-5-24-28(23-18-21-14-10-11-15-22(21)19-27(23)34-4)30-25(6-2)29(31-24)32-26(16-17-33-3)20-12-8-7-9-13-20/h7-9,12-13,18-19,26H,5-6,10-11,14-17H2,1-4H3,(H,31,32)
• InChIKey: PBZKSGWUSFCYCS-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 56.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.63
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine?

The IUPAC name of 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine (CID 22278714) is 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine.

What is the SMILES notation for 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine?

The canonical SMILES for 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine is CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1NC(CCOC)c1ccccc1.

What is the InChIKey of 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine?

The InChIKey is PBZKSGWUSFCYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-5-24-28(23-18-21-14-10-11-15-22(21)19-27(23)34-4)30-25(6-2)29(31-24)32-26(16-17-33-3)20-12-8-7-9-13-20/h7-9,12-13,18-19,26H,5-6,10-11,14-17H2,1-4H3,(H,31,32).

What are the key properties of 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine?

3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine has a molecular weight of 459.63 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine is sourced from PubChem (CID 22278714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).