3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol

C23H33N3O2 — CID 22278698

About 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol

3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol (PubChem CID 22278698) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol
• PubChem CID: 22278698
• Molecular Formula: C23H33N3O2
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.26
• IUPAC Name: 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol
• SMILES: CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1NC(C)CCO
• InChI: InChI=1S/C23H33N3O2/c1-5-19-22(25-20(6-2)23(26-19)24-15(3)11-12-27)18-13-16-9-7-8-10-17(16)14-21(18)28-4/h13-15,27H,5-12H2,1-4H3,(H,24,26)
• InChIKey: YNHFUCGDQVUPNI-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 67.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol?

The IUPAC name of 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol (CID 22278698) is 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol.

What is the SMILES notation for 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol?

The canonical SMILES for 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol is CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1NC(C)CCO.

What is the InChIKey of 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol?

The InChIKey is YNHFUCGDQVUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-19-22(25-20(6-2)23(26-19)24-15(3)11-12-27)18-13-16-9-7-8-10-17(16)14-21(18)28-4/h13-15,27H,5-12H2,1-4H3,(H,24,26).

What are the key properties of 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol?

3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol has a molecular weight of 383.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 22278698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).