5-(1-aminoethyl)adamantan-2-ol

C12H21NO — CID 14813615

IUPAC5-(1-aminoethyl)adamantan-2-ol
SMILESCC(N)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C12H21NO/c1-7(13)12-4-8-2-9(5-12)11(14)10(3-8)6-12/h7-11,14H,2-6,13H2,1H3
InChIKeyIKZHOAXNYUBUDD-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds1

About 5-(1-aminoethyl)adamantan-2-ol

5-(1-aminoethyl)adamantan-2-ol (PubChem CID 14813615) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(1-aminoethyl)adamantan-2-ol.

Molecular Properties

Compound Name5-(1-aminoethyl)adamantan-2-ol
PubChem CID14813615
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-(1-aminoethyl)adamantan-2-ol
SMILESCC(N)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C12H21NO/c1-7(13)12-4-8-2-9(5-12)11(14)10(3-8)6-12/h7-11,14H,2-6,13H2,1H3
InChIKeyIKZHOAXNYUBUDD-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 5-(1-aminoethyl)adamantan-2-ol?
The IUPAC name of 5-(1-aminoethyl)adamantan-2-ol (CID 14813615) is 5-(1-aminoethyl)adamantan-2-ol.
What is the SMILES notation for 5-(1-aminoethyl)adamantan-2-ol?
The canonical SMILES for 5-(1-aminoethyl)adamantan-2-ol is CC(N)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 5-(1-aminoethyl)adamantan-2-ol?
The InChIKey is IKZHOAXNYUBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7(13)12-4-8-2-9(5-12)11(14)10(3-8)6-12/h7-11,14H,2-6,13H2,1H3.
What are the key properties of 5-(1-aminoethyl)adamantan-2-ol?
5-(1-aminoethyl)adamantan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)adamantan-2-ol is sourced from PubChem (CID 14813615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).