2-(1-adamantylamino)propan-2-ol

C13H23NO — CID 58571389

IUPAC2-(1-adamantylamino)propan-2-ol
SMILESCC(C)(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-12(2,15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14-15H,3-8H2,1-2H3
InChIKeyPMBHCIHPGCEZCD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.27
Rot. Bonds2

About 2-(1-adamantylamino)propan-2-ol

2-(1-adamantylamino)propan-2-ol (PubChem CID 58571389) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(1-adamantylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-adamantylamino)propan-2-ol
PubChem CID58571389
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(1-adamantylamino)propan-2-ol
SMILESCC(C)(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-12(2,15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14-15H,3-8H2,1-2H3
InChIKeyPMBHCIHPGCEZCD-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)propan-2-ol?
The IUPAC name of 2-(1-adamantylamino)propan-2-ol (CID 58571389) is 2-(1-adamantylamino)propan-2-ol.
What is the SMILES notation for 2-(1-adamantylamino)propan-2-ol?
The canonical SMILES for 2-(1-adamantylamino)propan-2-ol is CC(C)(O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylamino)propan-2-ol?
The InChIKey is PMBHCIHPGCEZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of 2-(1-adamantylamino)propan-2-ol?
2-(1-adamantylamino)propan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)propan-2-ol is sourced from PubChem (CID 58571389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).