1-(2-adamantylamino)ethanol

C12H21NO — CID 142760557

IUPAC1-(2-adamantylamino)ethanol
SMILESCC(O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO/c1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-14H,2-6H2,1H3
InChIKeyASAZNNSQNDDYNV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.74
Rot. Bonds2

About 1-(2-adamantylamino)ethanol

1-(2-adamantylamino)ethanol (PubChem CID 142760557) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-adamantylamino)ethanol.

Molecular Properties

Compound Name1-(2-adamantylamino)ethanol
PubChem CID142760557
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-adamantylamino)ethanol
SMILESCC(O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO/c1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-14H,2-6H2,1H3
InChIKeyASAZNNSQNDDYNV-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-adamantylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylamino)ethanol?
The IUPAC name of 1-(2-adamantylamino)ethanol (CID 142760557) is 1-(2-adamantylamino)ethanol.
What is the SMILES notation for 1-(2-adamantylamino)ethanol?
The canonical SMILES for 1-(2-adamantylamino)ethanol is CC(O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantylamino)ethanol?
The InChIKey is ASAZNNSQNDDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8/h7-14H,2-6H2,1H3.
What are the key properties of 1-(2-adamantylamino)ethanol?
1-(2-adamantylamino)ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylamino)ethanol is sourced from PubChem (CID 142760557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).