3-(1-aminocyclohexyl)-1-methylindol-7-ol

C15H20N2O — CID 82664794

IUPAC3-(1-aminocyclohexyl)-1-methylindol-7-ol
SMILESCn1cc(C2(N)CCCCC2)c2cccc(O)c21
InChIInChI=1S/C15H20N2O/c1-17-10-12(15(16)8-3-2-4-9-15)11-6-5-7-13(18)14(11)17/h5-7,10,18H,2-4,8-9,16H2,1H3
InChIKeyPRPOJIBFGLIGSA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.00
Rot. Bonds1

About 3-(1-aminocyclohexyl)-1-methylindol-7-ol

3-(1-aminocyclohexyl)-1-methylindol-7-ol (PubChem CID 82664794) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-1-methylindol-7-ol.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-1-methylindol-7-ol
PubChem CID82664794
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(1-aminocyclohexyl)-1-methylindol-7-ol
SMILESCn1cc(C2(N)CCCCC2)c2cccc(O)c21
InChIInChI=1S/C15H20N2O/c1-17-10-12(15(16)8-3-2-4-9-15)11-6-5-7-13(18)14(11)17/h5-7,10,18H,2-4,8-9,16H2,1H3
InChIKeyPRPOJIBFGLIGSA-UHFFFAOYSA-N
XLogP3.00
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-1-methylindol-7-ol?
The IUPAC name of 3-(1-aminocyclohexyl)-1-methylindol-7-ol (CID 82664794) is 3-(1-aminocyclohexyl)-1-methylindol-7-ol.
What is the SMILES notation for 3-(1-aminocyclohexyl)-1-methylindol-7-ol?
The canonical SMILES for 3-(1-aminocyclohexyl)-1-methylindol-7-ol is Cn1cc(C2(N)CCCCC2)c2cccc(O)c21.
What is the InChIKey of 3-(1-aminocyclohexyl)-1-methylindol-7-ol?
The InChIKey is PRPOJIBFGLIGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-10-12(15(16)8-3-2-4-9-15)11-6-5-7-13(18)14(11)17/h5-7,10,18H,2-4,8-9,16H2,1H3.
What are the key properties of 3-(1-aminocyclohexyl)-1-methylindol-7-ol?
3-(1-aminocyclohexyl)-1-methylindol-7-ol has a molecular weight of 244.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-1-methylindol-7-ol is sourced from PubChem (CID 82664794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).