4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one

C20H31NO3 — CID 69160144

IUPAC4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one
SMILESNC1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C10H17NO.C10H14O2/c2*11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2;6-8,12H,1-5H2
InChIKeyDZDBBLWNSVVJGQ-UHFFFAOYSA-N
MW333.47 g/mol
LogP2.01
Rot. Bonds

About 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one

4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one (PubChem CID 69160144) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one.

Molecular Properties

Compound Name4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one
PubChem CID69160144
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one
SMILESNC1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C10H17NO.C10H14O2/c2*11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2;6-8,12H,1-5H2
InChIKeyDZDBBLWNSVVJGQ-UHFFFAOYSA-N
XLogP2.01
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one;4-hydroxyiminoadamantan-1-ol
CID 158318854
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
4-aminoadamantane-1-carboxylic acid;4-oxoadamantane-1-carboxylic acid
CID 159203089
4-aminoadamantan-1-ol;5-chloro-1-cyclohexylpyrazole-4-carboxylic acid
CID 172785552
adamantan-1-ol;azane
CID 66728775
4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
2-(5-hydroxy-2-adamantylidene)acetonitrile
CID 4690503
4-(2-amino-1-hydroxyethyl)adamantan-1-ol
CID 58192732
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
CID 57495541
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
(4-oxo-1-adamantyl) 2-amino-2,2-diiodoacetate
CID 163577705
2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-3-oxodiazetidine-1-carboxylic acid
CID 123257712

Frequently Asked Questions

What is the IUPAC name of 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one?
The IUPAC name of 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one (CID 69160144) is 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one.
What is the SMILES notation for 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one?
The canonical SMILES for 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one is NC1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one?
The InChIKey is DZDBBLWNSVVJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C10H14O2/c2*11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2;6-8,12H,1-5H2.
What are the key properties of 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one?
4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one has a molecular weight of 333.47 g/mol, XLogP of 2.01, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoadamantan-1-ol;5-hydroxyadamantan-2-one is sourced from PubChem (CID 69160144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).