(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol

C12H21NO — CID 23309248

IUPAC(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
SMILESC[C@@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3/t8-,9+,10+,11?,12?/m1/s1
InChIKeyJVWKHPHTJHFQAN-LVGQNXBHSA-N
MW195.31 g/mol
LogP1.66
Rot. Bonds1

About (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol

(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol (PubChem CID 23309248) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol.

Molecular Properties

Compound Name(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
PubChem CID23309248
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
SMILESC[C@@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3/t8-,9+,10+,11?,12?/m1/s1
InChIKeyJVWKHPHTJHFQAN-LVGQNXBHSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
CID 57369169
3-(1-aminoethyl)adamantane-1-thiol
CID 2828167
(5S,7S)-3-[(1R)-1-aminoethyl]adamantane-1-thiol
CID 23309254
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
3-(1-phenylethyl)adamantan-1-ol
CID 178183380
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
CID 23596418
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
CID 11173505
2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 126710006
(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 70339285
(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
CID 159589364

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol?
The IUPAC name of (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol (CID 23309248) is (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol.
What is the SMILES notation for (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol?
The canonical SMILES for (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol is C[C@@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol?
The InChIKey is JVWKHPHTJHFQAN-LVGQNXBHSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3/t8-,9+,10+,11?,12?/m1/s1.
What are the key properties of (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol?
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol is sourced from PubChem (CID 23309248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).