2-(1-adamantylmethylamino)ethanol

C13H23NO — CID 3162226

IUPAC2-(1-adamantylmethylamino)ethanol
SMILESOCCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c15-2-1-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,14-15H,1-9H2
InChIKeyPXQHUVHSOLQIQZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.78
Rot. Bonds4

About 2-(1-adamantylmethylamino)ethanol

2-(1-adamantylmethylamino)ethanol (PubChem CID 3162226) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(1-adamantylmethylamino)ethanol.

Molecular Properties

Compound Name2-(1-adamantylmethylamino)ethanol
PubChem CID3162226
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(1-adamantylmethylamino)ethanol
SMILESOCCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c15-2-1-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,14-15H,1-9H2
InChIKeyPXQHUVHSOLQIQZ-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethylamino)ethanol?
The IUPAC name of 2-(1-adamantylmethylamino)ethanol (CID 3162226) is 2-(1-adamantylmethylamino)ethanol.
What is the SMILES notation for 2-(1-adamantylmethylamino)ethanol?
The canonical SMILES for 2-(1-adamantylmethylamino)ethanol is OCCNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethylamino)ethanol?
The InChIKey is PXQHUVHSOLQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-2-1-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,14-15H,1-9H2.
What are the key properties of 2-(1-adamantylmethylamino)ethanol?
2-(1-adamantylmethylamino)ethanol has a molecular weight of 209.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylamino)ethanol is sourced from PubChem (CID 3162226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).