1-(1-adamantylamino)ethanol

C12H21NO — CID 54280280

IUPAC1-(1-adamantylamino)ethanol
SMILESCC(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKeyHHUBFEOFHUUVAE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.88
Rot. Bonds2

About 1-(1-adamantylamino)ethanol

1-(1-adamantylamino)ethanol (PubChem CID 54280280) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-adamantylamino)ethanol.

Molecular Properties

Compound Name1-(1-adamantylamino)ethanol
PubChem CID54280280
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(1-adamantylamino)ethanol
SMILESCC(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKeyHHUBFEOFHUUVAE-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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 1-(1-adamantylamino)ethanol?
The IUPAC name of 1-(1-adamantylamino)ethanol (CID 54280280) is 1-(1-adamantylamino)ethanol.
What is the SMILES notation for 1-(1-adamantylamino)ethanol?
The canonical SMILES for 1-(1-adamantylamino)ethanol is CC(O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylamino)ethanol?
The InChIKey is HHUBFEOFHUUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3.
What are the key properties of 1-(1-adamantylamino)ethanol?
1-(1-adamantylamino)ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylamino)ethanol is sourced from PubChem (CID 54280280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).