(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol

C13H23NO — CID 159589364

IUPAC(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
SMILESCC(C)NC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-9(2)14-12-4-10-3-11(5-12)7-13(15,6-10)8-12/h9-11,14-15H,3-8H2,1-2H3/t10-,11+,12?,13?
InChIKeyMKARMKJGDQNNAZ-MPEURRAXSA-N
MW209.33 g/mol
LogP2.07
Rot. Bonds2

About (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol

(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol (PubChem CID 159589364) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol.

Molecular Properties

Compound Name(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
PubChem CID159589364
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol
SMILESCC(C)NC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-9(2)14-12-4-10-3-11(5-12)7-13(15,6-10)8-12/h9-11,14-15H,3-8H2,1-2H3/t10-,11+,12?,13?
InChIKeyMKARMKJGDQNNAZ-MPEURRAXSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
tert-butyl N-(3-hydroxy-1-adamantyl)carbamate
CID 59134555
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
CID 131914978
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
3-(1-phenylethyl)adamantan-1-ol
CID 178183380
3-tert-butyladamantan-1-ol
CID 59863856
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
CID 21063620
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 98363349

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol?
The IUPAC name of (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol (CID 159589364) is (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol.
What is the SMILES notation for (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol?
The canonical SMILES for (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol is CC(C)NC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol?
The InChIKey is MKARMKJGDQNNAZ-MPEURRAXSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)14-12-4-10-3-11(5-12)7-13(15,6-10)8-12/h9-11,14-15H,3-8H2,1-2H3/t10-,11+,12?,13?.
What are the key properties of (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol?
(5S,7R)-3-(propan-2-ylamino)adamantan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-(propan-2-ylamino)adamantan-1-ol is sourced from PubChem (CID 159589364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).