4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol

C10H19NO2 — CID 123252200

IUPAC4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCCCC1C(N)C2CCC(O2)C1O
InChIInChI=1S/C10H19NO2/c1-2-3-6-9(11)7-4-5-8(13-7)10(6)12/h6-10,12H,2-5,11H2,1H3
InChIKeyHTYSGXCLXSFGFN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.65
Rot. Bonds2

About 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol

4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol (PubChem CID 123252200) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol
PubChem CID123252200
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCCCC1C(N)C2CCC(O2)C1O
InChIInChI=1S/C10H19NO2/c1-2-3-6-9(11)7-4-5-8(13-7)10(6)12/h6-10,12H,2-5,11H2,1H3
InChIKeyHTYSGXCLXSFGFN-UHFFFAOYSA-N
XLogP0.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 130146529
cis-(2R,3S)-2-methyl-3-propylcyclopropan-1-amine
CID 163640709
9-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 86123910
2,4-dioxabicyclo[3.2.1]octane-3,8-diol
CID 176878454
(Z)-7-[(1S,2S,3R,4R)-3-amino-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70411400
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027
3-methyl-9-oxabicyclo[3.3.1]nonane-2,6-diol
CID 57374370
4-methyl-8-oxabicyclo[5.1.0]octane
CID 45120447
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
4-ethyl-2-propyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
CID 73011386
7-[(1S,2S,3R,4R)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510753

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol (CID 123252200) is 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol is CCCC1C(N)C2CCC(O2)C1O.
What is the InChIKey of 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol?
The InChIKey is HTYSGXCLXSFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-6-9(11)7-4-5-8(13-7)10(6)12/h6-10,12H,2-5,11H2,1H3.
What are the key properties of 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol?
4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 123252200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).