4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol

C13H23NO2 — CID 60897542

IUPAC4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
SMILESCC(NC1COCC1O)C1CC2CCC1C2
InChIInChI=1S/C13H23NO2/c1-8(14-12-6-16-7-13(12)15)11-5-9-2-3-10(11)4-9/h8-15H,2-7H2,1H3
InChIKeyOSTQRPXUOXCDAD-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.16
Rot. Bonds3

About 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol

4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol (PubChem CID 60897542) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
PubChem CID60897542
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
SMILESCC(NC1COCC1O)C1CC2CCC1C2
InChIInChI=1S/C13H23NO2/c1-8(14-12-6-16-7-13(12)15)11-5-9-2-3-10(11)4-9/h8-15H,2-7H2,1H3
InChIKeyOSTQRPXUOXCDAD-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43082314
4-[[(1R)-1-cyclopentylethyl]amino]oxolan-3-ol
CID 81394183
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol (CID 60897542) is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol is CC(NC1COCC1O)C1CC2CCC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol?
The InChIKey is OSTQRPXUOXCDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8(14-12-6-16-7-13(12)15)11-5-9-2-3-10(11)4-9/h8-15H,2-7H2,1H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol?
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol is sourced from PubChem (CID 60897542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).