2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol

C7H13NO — CID 171035131

IUPAC2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol
SMILESNC12CC(CCO)(C1)C2
InChIInChI=1S/C7H13NO/c8-7-3-6(4-7,5-7)1-2-9/h9H,1-5,8H2
InChIKeyCHYXHLAOVAOMPC-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.25
Rot. Bonds2

About 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol

2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol (PubChem CID 171035131) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol.

Molecular Properties

Compound Name2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol
PubChem CID171035131
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol
SMILESNC12CC(CCO)(C1)C2
InChIInChI=1S/C7H13NO/c8-7-3-6(4-7,5-7)1-2-9/h9H,1-5,8H2
InChIKeyCHYXHLAOVAOMPC-UHFFFAOYSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol?
The IUPAC name of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol (CID 171035131) is 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol.
What is the SMILES notation for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol?
The canonical SMILES for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol is NC12CC(CCO)(C1)C2.
What is the InChIKey of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol?
The InChIKey is CHYXHLAOVAOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-7-3-6(4-7,5-7)1-2-9/h9H,1-5,8H2.
What are the key properties of 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol?
2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol has a molecular weight of 127.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-bicyclo[1.1.1]pentanyl)ethanol is sourced from PubChem (CID 171035131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).