4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol

C14H27NO2 — CID 79125244

IUPAC4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol
SMILESCCC1CCC(CN)(C2(O)CCCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-12-4-6-13(10-12,11-15)14(16)5-3-8-17-9-7-14/h12,16H,2-11,15H2,1H3
InChIKeyFYYPUYOZOOFDMZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.07
Rot. Bonds3

About 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol

4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol (PubChem CID 79125244) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol
PubChem CID79125244
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol
SMILESCCC1CCC(CN)(C2(O)CCCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-12-4-6-13(10-12,11-15)14(16)5-3-8-17-9-7-14/h12,16H,2-11,15H2,1H3
InChIKeyFYYPUYOZOOFDMZ-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol (CID 79125244) is 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol is CCC1CCC(CN)(C2(O)CCCOCC2)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol?
The InChIKey is FYYPUYOZOOFDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-12-4-6-13(10-12,11-15)14(16)5-3-8-17-9-7-14/h12,16H,2-11,15H2,1H3.
What are the key properties of 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol?
4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol has a molecular weight of 241.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-ethylcyclopentyl]oxepan-4-ol is sourced from PubChem (CID 79125244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).