1-(2-aminoethyl)adamantan-2-ol

C12H21NO — CID 52941113

IUPAC1-(2-aminoethyl)adamantan-2-ol
SMILESNCCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C12H21NO/c13-2-1-12-6-8-3-9(7-12)5-10(4-8)11(12)14/h8-11,14H,1-7,13H2
InChIKeyDGCFRHFPJKCHTG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-aminoethyl)adamantan-2-ol

1-(2-aminoethyl)adamantan-2-ol (PubChem CID 52941113) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)adamantan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)adamantan-2-ol
PubChem CID52941113
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-aminoethyl)adamantan-2-ol
SMILESNCCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C12H21NO/c13-2-1-12-6-8-3-9(7-12)5-10(4-8)11(12)14/h8-11,14H,1-7,13H2
InChIKeyDGCFRHFPJKCHTG-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)adamantan-2-ol?
The IUPAC name of 1-(2-aminoethyl)adamantan-2-ol (CID 52941113) is 1-(2-aminoethyl)adamantan-2-ol.
What is the SMILES notation for 1-(2-aminoethyl)adamantan-2-ol?
The canonical SMILES for 1-(2-aminoethyl)adamantan-2-ol is NCCC12CC3CC(CC(C3)C1O)C2.
What is the InChIKey of 1-(2-aminoethyl)adamantan-2-ol?
The InChIKey is DGCFRHFPJKCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-2-1-12-6-8-3-9(7-12)5-10(4-8)11(12)14/h8-11,14H,1-7,13H2.
What are the key properties of 1-(2-aminoethyl)adamantan-2-ol?
1-(2-aminoethyl)adamantan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)adamantan-2-ol is sourced from PubChem (CID 52941113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).