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

C13H25NO — CID 60885277

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(NCC(C)(C)O)C1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-9(14-8-13(2,3)15)12-7-10-4-5-11(12)6-10/h9-12,14-15H,4-8H2,1-3H3
InChIKeyWFOUMEJVGWUHRZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds4

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

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 60885277) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol
PubChem CID60885277
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(NCC(C)(C)O)C1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-9(14-8-13(2,3)15)12-7-10-4-5-11(12)6-10/h9-12,14-15H,4-8H2,1-3H3
InChIKeyWFOUMEJVGWUHRZ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol (CID 60885277) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol is CC(NCC(C)(C)O)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is WFOUMEJVGWUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(14-8-13(2,3)15)12-7-10-4-5-11(12)6-10/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 60885277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).