3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol

C16H22N2O — CID 117171709

IUPAC3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
SMILESCCn1cc(CNC2CCCC2)c2c(O)cccc21
InChIInChI=1S/C16H22N2O/c1-2-18-11-12(10-17-13-6-3-4-7-13)16-14(18)8-5-9-15(16)19/h5,8-9,11,13,17,19H,2-4,6-7,10H2,1H3
InChIKeyRVQSYVWKMZQSEO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.40
Rot. Bonds4

About 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol

3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol (PubChem CID 117171709) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
PubChem CID117171709
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
SMILESCCn1cc(CNC2CCCC2)c2c(O)cccc21
InChIInChI=1S/C16H22N2O/c1-2-18-11-12(10-17-13-6-3-4-7-13)16-14(18)8-5-9-15(16)19/h5,8-9,11,13,17,19H,2-4,6-7,10H2,1H3
InChIKeyRVQSYVWKMZQSEO-UHFFFAOYSA-N
XLogP3.40
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol (CID 117171709) is 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol is CCn1cc(CNC2CCCC2)c2c(O)cccc21.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol?
The InChIKey is RVQSYVWKMZQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18-11-12(10-17-13-6-3-4-7-13)16-14(18)8-5-9-15(16)19/h5,8-9,11,13,17,19H,2-4,6-7,10H2,1H3.
What are the key properties of 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol?
3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol has a molecular weight of 258.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol is sourced from PubChem (CID 117171709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).