3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol

C15H20N2O — CID 82664685

IUPAC3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol
SMILESCn1cc(C2(CN)CCCC2)c2c(O)cccc21
InChIInChI=1S/C15H20N2O/c1-17-9-11(15(10-16)7-2-3-8-15)14-12(17)5-4-6-13(14)18/h4-6,9,18H,2-3,7-8,10,16H2,1H3
InChIKeyLWUIHDGGPDFRMD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.65
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol

3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol (PubChem CID 82664685) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol
PubChem CID82664685
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol
SMILESCn1cc(C2(CN)CCCC2)c2c(O)cccc21
InChIInChI=1S/C15H20N2O/c1-17-9-11(15(10-16)7-2-3-8-15)14-12(17)5-4-6-13(14)18/h4-6,9,18H,2-3,7-8,10,16H2,1H3
InChIKeyLWUIHDGGPDFRMD-UHFFFAOYSA-N
XLogP2.65
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol (CID 82664685) is 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol is Cn1cc(C2(CN)CCCC2)c2c(O)cccc21.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol?
The InChIKey is LWUIHDGGPDFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-9-11(15(10-16)7-2-3-8-15)14-12(17)5-4-6-13(14)18/h4-6,9,18H,2-3,7-8,10,16H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol?
3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol has a molecular weight of 244.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]-1-methylindol-4-ol is sourced from PubChem (CID 82664685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).