[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol

C₁₄H₂₆N₂O — CID 82751207

About [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol

[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol (PubChem CID 82751207) has the molecular formula C₁₄H₂₆N₂O and a molecular weight of 238.37 g/mol. Its IUPAC name is [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol.

Molecular Properties

• Compound Name: [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
• PubChem CID: 82751207
• Molecular Formula: C₁₄H₂₆N₂O
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.20
• IUPAC Name: [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
• SMILES: NC1(CO)CCC(N2CCC3CCCCC32)C1
• InChI: InChI=1S/C14H26N2O/c15-14(10-17)7-5-12(9-14)16-8-6-11-3-1-2-4-13(11)16/h11-13,17H,1-10,15H2
• InChIKey: IGGBCVDKNQHTLW-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 49.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.37
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?

The IUPAC name of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol (CID 82751207) is [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol.

What is the SMILES notation for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?

The canonical SMILES for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol is NC1(CO)CCC(N2CCC3CCCCC32)C1.

What is the InChIKey of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?

The InChIKey is IGGBCVDKNQHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-14(10-17)7-5-12(9-14)16-8-6-11-3-1-2-4-13(11)16/h11-13,17H,1-10,15H2.

What are the key properties of [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol?

[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol has a molecular weight of 238.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol is sourced from PubChem (CID 82751207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82751207 — identifiers, structure, computed properties (public domain)

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