N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine

C21H26F3N3O — CID 175831235

IUPACN-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESFC(F)(F)Cn1ccc2c(NC3CCC(N4CC5(COC5)C4)CC3)cccc21
InChIInChI=1S/C21H26F3N3O/c22-21(23,24)12-26-9-8-17-18(2-1-3-19(17)26)25-15-4-6-16(7-5-15)27-10-20(11-27)13-28-14-20/h1-3,8-9,15-16,25H,4-7,10-14H2
InChIKeyYDIDPYZEEFRHBR-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.26
Rot. Bonds4

About N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine

N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 175831235) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound NameN-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID175831235
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC NameN-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESFC(F)(F)Cn1ccc2c(NC3CCC(N4CC5(COC5)C4)CC3)cccc21
InChIInChI=1S/C21H26F3N3O/c22-21(23,24)12-26-9-8-17-18(2-1-3-19(17)26)25-15-4-6-16(7-5-15)27-10-20(11-27)13-28-14-20/h1-3,8-9,15-16,25H,4-7,10-14H2
InChIKeyYDIDPYZEEFRHBR-UHFFFAOYSA-N
XLogP4.26
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 175831235) is N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine is FC(F)(F)Cn1ccc2c(NC3CCC(N4CC5(COC5)C4)CC3)cccc21.
What is the InChIKey of N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is YDIDPYZEEFRHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c22-21(23,24)12-26-9-8-17-18(2-1-3-19(17)26)25-15-4-6-16(7-5-15)27-10-20(11-27)13-28-14-20/h1-3,8-9,15-16,25H,4-7,10-14H2.
What are the key properties of N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?
N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 393.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 175831235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).