3-(azepan-1-ylmethyl)-1-ethylindol-5-ol

C17H24N2O — CID 117175480

IUPAC3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
SMILESCCn1cc(CN2CCCCCC2)c2cc(O)ccc21
InChIInChI=1S/C17H24N2O/c1-2-19-13-14(12-18-9-5-3-4-6-10-18)16-11-15(20)7-8-17(16)19/h7-8,11,13,20H,2-6,9-10,12H2,1H3
InChIKeyJZSQCSOXHZUFNR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.74
Rot. Bonds3

About 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol

3-(azepan-1-ylmethyl)-1-ethylindol-5-ol (PubChem CID 117175480) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
PubChem CID117175480
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
SMILESCCn1cc(CN2CCCCCC2)c2cc(O)ccc21
InChIInChI=1S/C17H24N2O/c1-2-19-13-14(12-18-9-5-3-4-6-10-18)16-11-15(20)7-8-17(16)19/h7-8,11,13,20H,2-6,9-10,12H2,1H3
InChIKeyJZSQCSOXHZUFNR-UHFFFAOYSA-N
XLogP3.74
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol?
The IUPAC name of 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol (CID 117175480) is 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol?
The canonical SMILES for 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol is CCn1cc(CN2CCCCCC2)c2cc(O)ccc21.
What is the InChIKey of 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol?
The InChIKey is JZSQCSOXHZUFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-19-13-14(12-18-9-5-3-4-6-10-18)16-11-15(20)7-8-17(16)19/h7-8,11,13,20H,2-6,9-10,12H2,1H3.
What are the key properties of 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol?
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol has a molecular weight of 272.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-1-ethylindol-5-ol is sourced from PubChem (CID 117175480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).