2-[1-adamantyl(methyl)amino]ethanol

C13H23NO — CID 2848038

IUPAC2-[1-adamantyl(methyl)amino]ethanol
SMILESCN(CCO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-14(2-3-15)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,2-9H2,1H3
InChIKeyPBIKYLZCOFBUBV-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.88
Rot. Bonds3

About 2-[1-adamantyl(methyl)amino]ethanol

2-[1-adamantyl(methyl)amino]ethanol (PubChem CID 2848038) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[1-adamantyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-adamantyl(methyl)amino]ethanol
PubChem CID2848038
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[1-adamantyl(methyl)amino]ethanol
SMILESCN(CCO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-14(2-3-15)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,2-9H2,1H3
InChIKeyPBIKYLZCOFBUBV-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantyl(methyl)amino]ethanol?
The IUPAC name of 2-[1-adamantyl(methyl)amino]ethanol (CID 2848038) is 2-[1-adamantyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[1-adamantyl(methyl)amino]ethanol?
The canonical SMILES for 2-[1-adamantyl(methyl)amino]ethanol is CN(CCO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantyl(methyl)amino]ethanol?
The InChIKey is PBIKYLZCOFBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14(2-3-15)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,2-9H2,1H3.
What are the key properties of 2-[1-adamantyl(methyl)amino]ethanol?
2-[1-adamantyl(methyl)amino]ethanol has a molecular weight of 209.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantyl(methyl)amino]ethanol is sourced from PubChem (CID 2848038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).