(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol

C₂₄H₃₈N₄O₂ — CID 155523419

About (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol

(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol (PubChem CID 155523419) has the molecular formula C₂₄H₃₈N₄O₂ and a molecular weight of 414.59 g/mol. Its IUPAC name is (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol
• PubChem CID: 155523419
• Molecular Formula: C₂₄H₃₈N₄O₂
• Molecular Weight: 414.59 g/mol
• Exact Mass: 414.30
• IUPAC Name: (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol
• SMILES: CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)O
• InChI: InChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-18-30-4)19-20(3)29/h7-14,20,23-24,29H,5-6,15-19H2,1-4H3/t20-,23+,24+/m0/s1
• InChIKey: IWGLAHBDYGRWRK-TUACAJSNSA-N
• XLogP: 3.71
• TPSA: 61.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.59
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?

The IUPAC name of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol (CID 155523419) is (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol.

What is the SMILES notation for (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?

The canonical SMILES for (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol is CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)O.

What is the InChIKey of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?

The InChIKey is IWGLAHBDYGRWRK-TUACAJSNSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-18-30-4)19-20(3)29/h7-14,20,23-24,29H,5-6,15-19H2,1-4H3/t20-,23+,24+/m0/s1.

What are the key properties of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?

(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol has a molecular weight of 414.59 g/mol, XLogP of 3.71, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol is sourced from PubChem (CID 155523419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155523419 — identifiers, structure, computed properties (public domain)

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