2-(1-adamantyl)-2-aminoethanol

C12H21NO — CID 2835979

IUPAC2-(1-adamantyl)-2-aminoethanol
SMILESNC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7,13H2
InChIKeyHBUUJKSRVMGCEK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds2

About 2-(1-adamantyl)-2-aminoethanol

2-(1-adamantyl)-2-aminoethanol (PubChem CID 2835979) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-aminoethanol.

Molecular Properties

Compound Name2-(1-adamantyl)-2-aminoethanol
PubChem CID2835979
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-adamantyl)-2-aminoethanol
SMILESNC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7,13H2
InChIKeyHBUUJKSRVMGCEK-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 2-(1-adamantyl)-2-aminoethanol?
The IUPAC name of 2-(1-adamantyl)-2-aminoethanol (CID 2835979) is 2-(1-adamantyl)-2-aminoethanol.
What is the SMILES notation for 2-(1-adamantyl)-2-aminoethanol?
The canonical SMILES for 2-(1-adamantyl)-2-aminoethanol is NC(CO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-aminoethanol?
The InChIKey is HBUUJKSRVMGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7,13H2.
What are the key properties of 2-(1-adamantyl)-2-aminoethanol?
2-(1-adamantyl)-2-aminoethanol 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 2-(1-adamantyl)-2-aminoethanol is sourced from PubChem (CID 2835979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).