5-(2-aminopropyl)adamantan-2-ol

C13H23NO — CID 516159

IUPAC5-(2-aminopropyl)adamantan-2-ol
SMILESCC(N)CC12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C13H23NO/c1-8(14)4-13-5-9-2-10(6-13)12(15)11(3-9)7-13/h8-12,15H,2-7,14H2,1H3
InChIKeyALWZPGJRGBCRPU-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.91
Rot. Bonds2

About 5-(2-aminopropyl)adamantan-2-ol

5-(2-aminopropyl)adamantan-2-ol (PubChem CID 516159) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-(2-aminopropyl)adamantan-2-ol.

Molecular Properties

Compound Name5-(2-aminopropyl)adamantan-2-ol
PubChem CID516159
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-(2-aminopropyl)adamantan-2-ol
SMILESCC(N)CC12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C13H23NO/c1-8(14)4-13-5-9-2-10(6-13)12(15)11(3-9)7-13/h8-12,15H,2-7,14H2,1H3
InChIKeyALWZPGJRGBCRPU-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)propan-2-ol
CID 5154050
5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
CID 131845796
(4-hydroxy-1-adamantyl)methyl 2,2-dimethylbutanoate
CID 59229073
2-[(4-hydroxy-1-adamantyl)methyl]prop-2-enoic acid
CID 69415134
5-(1-adamantyl)adamantan-2-ol
CID 68898703
(2R,5S,7R)-1-(1-aminoethyl)adamantan-2-ol
CID 102057489
1-(2-methylsulfonylpropyl)adamantane
CID 157095004
1-(1-adamantyl)pentan-2-amine;hydrochloride
CID 12619351
5-chloroadamantan-2-ol
CID 12660028
5-bromoadamantan-2-ol
CID 12660030
[5-(hydroxymethyl)-2-adamantyl]methanol
CID 123735140
5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol
CID 122499288

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)adamantan-2-ol?
The IUPAC name of 5-(2-aminopropyl)adamantan-2-ol (CID 516159) is 5-(2-aminopropyl)adamantan-2-ol.
What is the SMILES notation for 5-(2-aminopropyl)adamantan-2-ol?
The canonical SMILES for 5-(2-aminopropyl)adamantan-2-ol is CC(N)CC12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 5-(2-aminopropyl)adamantan-2-ol?
The InChIKey is ALWZPGJRGBCRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(14)4-13-5-9-2-10(6-13)12(15)11(3-9)7-13/h8-12,15H,2-7,14H2,1H3.
What are the key properties of 5-(2-aminopropyl)adamantan-2-ol?
5-(2-aminopropyl)adamantan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)adamantan-2-ol is sourced from PubChem (CID 516159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).