[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol

C₁₈H₃₃NO₂ — CID 103966384

About [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol

[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol (PubChem CID 103966384) has the molecular formula C₁₈H₃₃NO₂ and a molecular weight of 295.47 g/mol. Its IUPAC name is [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

• Compound Name: [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
• PubChem CID: 103966384
• Molecular Formula: C₁₈H₃₃NO₂
• Molecular Weight: 295.47 g/mol
• Exact Mass: 295.25
• IUPAC Name: [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
• SMILES: OCC1(CNC2CCOC3(CCCCC3)C2)CCCCC1
• InChI: InChI=1S/C18H33NO2/c20-15-17(8-3-1-4-9-17)14-19-16-7-12-21-18(13-16)10-5-2-6-11-18/h16,19-20H,1-15H2
• InChIKey: QGPIPRGYXDNWIX-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.47
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol?

The IUPAC name of [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol (CID 103966384) is [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol.

What is the SMILES notation for [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol?

The canonical SMILES for [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol is OCC1(CNC2CCOC3(CCCCC3)C2)CCCCC1.

What is the InChIKey of [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol?

The InChIKey is QGPIPRGYXDNWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c20-15-17(8-3-1-4-9-17)14-19-16-7-12-21-18(13-16)10-5-2-6-11-18/h16,19-20H,1-15H2.

What are the key properties of [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol?

[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 295.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103966384 — identifiers, structure, computed properties (public domain)

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