2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol

C15H27NO — CID 60714623

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-10(13-9-11-6-7-12(13)8-11)16-14-4-2-3-5-15(14)17/h10-17H,2-9H2,1H3
InChIKeyUPUVRGPYHUJODU-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol (PubChem CID 60714623) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol
PubChem CID60714623
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-10(13-9-11-6-7-12(13)8-11)16-14-4-2-3-5-15(14)17/h10-17H,2-9H2,1H3
InChIKeyUPUVRGPYHUJODU-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol (CID 60714623) is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCCC1O)C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol?
The InChIKey is UPUVRGPYHUJODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10(13-9-11-6-7-12(13)8-11)16-14-4-2-3-5-15(14)17/h10-17H,2-9H2,1H3.
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol?
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 60714623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).