5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol

C12H21NO — CID 131845796

IUPAC5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
SMILES[2H]C([2H])([2H])C([2H])(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/i1D3,7D
InChIKeyIKZHOAXNYUBUDD-CWIRFKENSA-N
MW199.33 g/mol
LogP1.52
Rot. Bonds2

About 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol

5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol (PubChem CID 131845796) has the molecular formula C12H21NO and a molecular weight of 199.33 g/mol. Its IUPAC name is 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol.

Molecular Properties

Compound Name5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
PubChem CID131845796
Molecular FormulaC12H21NO
Molecular Weight199.33 g/mol
Exact Mass199.19
IUPAC Name5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
SMILES[2H]C([2H])([2H])C([2H])(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/i1D3,7D
InChIKeyIKZHOAXNYUBUDD-CWIRFKENSA-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 ≤ 500199.33
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-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol?
The IUPAC name of 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol (CID 131845796) is 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol.
What is the SMILES notation for 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol?
The canonical SMILES for 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol is [2H]C([2H])([2H])C([2H])(N)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol?
The InChIKey is IKZHOAXNYUBUDD-CWIRFKENSA-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/i1D3,7D.
What are the key properties of 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol?
5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol has a molecular weight of 199.33 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 5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol is sourced from PubChem (CID 131845796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).