5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol

C12H24N2O — CID 106122442

IUPAC5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CN2CCC1CC2
InChIInChI=1S/C12H24N2O/c1-10(15)3-2-6-13-12-9-14-7-4-11(12)5-8-14/h10-13,15H,2-9H2,1H3
InChIKeyDKMRCKKCENDSSB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds5

About 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol

5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol (PubChem CID 106122442) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
PubChem CID106122442
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CN2CCC1CC2
InChIInChI=1S/C12H24N2O/c1-10(15)3-2-6-13-12-9-14-7-4-11(12)5-8-14/h10-13,15H,2-9H2,1H3
InChIKeyDKMRCKKCENDSSB-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
(2S)-2-[3-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)propyl]imidazol-3-ium-1-yl]propan-1-ol
CID 101396628
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,3-dimethylbutan-2-ol
CID 114492721
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 134940573
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43807688
tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257160
3-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,1-dimethylurea
CID 83116933
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711016
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol (CID 106122442) is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol is CC(O)CCCNC1CN2CCC1CC2.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol?
The InChIKey is DKMRCKKCENDSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(15)3-2-6-13-12-9-14-7-4-11(12)5-8-14/h10-13,15H,2-9H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol?
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol is sourced from PubChem (CID 106122442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).