3-ethoxybicyclo[1.1.1]pentan-1-amine

C7H13NO — CID 86288025

IUPAC3-ethoxybicyclo[1.1.1]pentan-1-amine
SMILESCCOC12CC(N)(C1)C2
InChIInChI=1S/C7H13NO/c1-2-9-7-3-6(8,4-7)5-7/h2-5,8H2,1H3
InChIKeyGPYNEHHTAXYDKD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds2

About 3-ethoxybicyclo[1.1.1]pentan-1-amine

3-ethoxybicyclo[1.1.1]pentan-1-amine (PubChem CID 86288025) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-ethoxybicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-ethoxybicyclo[1.1.1]pentan-1-amine
PubChem CID86288025
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-ethoxybicyclo[1.1.1]pentan-1-amine
SMILESCCOC12CC(N)(C1)C2
InChIInChI=1S/C7H13NO/c1-2-9-7-3-6(8,4-7)5-7/h2-5,8H2,1H3
InChIKeyGPYNEHHTAXYDKD-UHFFFAOYSA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxybicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-ethoxybicyclo[1.1.1]pentan-1-amine (CID 86288025) is 3-ethoxybicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-ethoxybicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-ethoxybicyclo[1.1.1]pentan-1-amine is CCOC12CC(N)(C1)C2.
What is the InChIKey of 3-ethoxybicyclo[1.1.1]pentan-1-amine?
The InChIKey is GPYNEHHTAXYDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-9-7-3-6(8,4-7)5-7/h2-5,8H2,1H3.
What are the key properties of 3-ethoxybicyclo[1.1.1]pentan-1-amine?
3-ethoxybicyclo[1.1.1]pentan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxybicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 86288025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).