(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol

C12H21NO — CID 102057489

IUPAC(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
SMILESCC(N)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@H]2O
InChIInChI=1S/C12H21NO/c1-7(13)12-5-8-2-9(6-12)4-10(3-8)11(12)14/h7-11,14H,2-6,13H2,1H3/t7?,8-,9+,10?,11-,12?/m1/s1
InChIKeyKRYIANPFQVLGGF-XCAUBFEUSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds1

About (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol

(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol (PubChem CID 102057489) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol.

Molecular Properties

Compound Name(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
PubChem CID102057489
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
SMILESCC(N)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@H]2O
InChIInChI=1S/C12H21NO/c1-7(13)12-5-8-2-9(6-12)4-10(3-8)11(12)14/h7-11,14H,2-6,13H2,1H3/t7?,8-,9+,10?,11-,12?/m1/s1
InChIKeyKRYIANPFQVLGGF-XCAUBFEUSA-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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Related Compounds

1-aminoadamantan-2-ol
CID 12563267
1-methyladamantan-2-ol
CID 12697517
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
2-(2-amino-1-adamantyl)propanoic acid
CID 70418861
1-(2-hydroxy-1-adamantyl)ethanone
CID 591962
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
5-(2-aminopropyl)adamantan-2-ol
CID 516159
1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine
CID 123477360
2-hydroxyadamantane-1-carbonitrile
CID 121217220
2-methyl-1-(1,1,1-trifluoropropan-2-yl)adamantane
CID 150536545
5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
CID 131845796

Frequently Asked Questions

What is the IUPAC name of (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol?
The IUPAC name of (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol (CID 102057489) is (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol.
What is the SMILES notation for (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol?
The canonical SMILES for (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol is CC(N)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@H]2O.
What is the InChIKey of (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol?
The InChIKey is KRYIANPFQVLGGF-XCAUBFEUSA-N. The full InChI is InChI=1S/C12H21NO/c1-7(13)12-5-8-2-9(6-12)4-10(3-8)11(12)14/h7-11,14H,2-6,13H2,1H3/t7?,8-,9+,10?,11-,12?/m1/s1.
What are the key properties of (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol?
(2R,5S,7R)-1-(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 (2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol is sourced from PubChem (CID 102057489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).