2-[(2-hydroxyethylamino)methyl]adamantan-2-ol

C13H23NO2 — CID 658517

IUPAC2-[(2-hydroxyethylamino)methyl]adamantan-2-ol
SMILESOCCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO2/c15-2-1-14-8-13(16)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14-16H,1-8H2
InChIKeyXRBSUFZLKWXBMU-UHFFFAOYSA-N
MW225.33 g/mol
LogP0.76
Rot. Bonds4

About 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol

2-[(2-hydroxyethylamino)methyl]adamantan-2-ol (PubChem CID 658517) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[(2-hydroxyethylamino)methyl]adamantan-2-ol
PubChem CID658517
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(2-hydroxyethylamino)methyl]adamantan-2-ol
SMILESOCCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO2/c15-2-1-14-8-13(16)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14-16H,1-8H2
InChIKeyXRBSUFZLKWXBMU-UHFFFAOYSA-N
XLogP0.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2-hydroxyethylamino)methyl]adamantan-2-ol?
The IUPAC name of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol (CID 658517) is 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol?
The canonical SMILES for 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol is OCCNCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol?
The InChIKey is XRBSUFZLKWXBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-2-1-14-8-13(16)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14-16H,1-8H2.
What are the key properties of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol?
2-[(2-hydroxyethylamino)methyl]adamantan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol is sourced from PubChem (CID 658517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).