2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol

C7H14N2O — CID 21027187

IUPAC2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESOCCN1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C7H14N2O/c10-2-1-9-5-6-3-7(9)4-8-6/h6-8,10H,1-5H2/t6-,7-/m0/s1
InChIKeyCCRSBIBFTKSXFZ-BQBZGAKWSA-N
MW142.20 g/mol
LogP-0.98
Rot. Bonds2

About 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol

2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol (PubChem CID 21027187) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
PubChem CID21027187
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESOCCN1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C7H14N2O/c10-2-1-9-5-6-3-7(9)4-8-6/h6-8,10H,1-5H2/t6-,7-/m0/s1
InChIKeyCCRSBIBFTKSXFZ-BQBZGAKWSA-N
XLogP-0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The IUPAC name of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol (CID 21027187) is 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol.
What is the SMILES notation for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The canonical SMILES for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol is OCCN1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The InChIKey is CCRSBIBFTKSXFZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14N2O/c10-2-1-9-5-6-3-7(9)4-8-6/h6-8,10H,1-5H2/t6-,7-/m0/s1.
What are the key properties of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol has a molecular weight of 142.20 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol is sourced from PubChem (CID 21027187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).