2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine

C24H32F3N3O — CID 156712168

About 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine

2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 156712168) has the molecular formula C24H32F3N3O and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
• PubChem CID: 156712168
• Molecular Formula: C24H32F3N3O
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.25
• IUPAC Name: 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
• SMILES: Cc1cc2c(NC3CCC(N4CC5(CCOCC5)C4)CC3)cccc2n1CC(F)(F)F
• InChI: InChI=1S/C24H32F3N3O/c1-17-13-20-21(3-2-4-22(20)30(17)16-24(25,26)27)28-18-5-7-19(8-6-18)29-14-23(15-29)9-11-31-12-10-23/h2-4,13,18-19,28H,5-12,14-16H2,1H3
• InChIKey: ZSLGVJYTJITZAU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 29.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?

The IUPAC name of 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 156712168) is 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine.

What is the SMILES notation for 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?

The canonical SMILES for 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine is Cc1cc2c(NC3CCC(N4CC5(CCOCC5)C4)CC3)cccc2n1CC(F)(F)F.

What is the InChIKey of 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?

The InChIKey is ZSLGVJYTJITZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O/c1-17-13-20-21(3-2-4-22(20)30(17)16-24(25,26)27)28-18-5-7-19(8-6-18)29-14-23(15-29)9-11-31-12-10-23/h2-4,13,18-19,28H,5-12,14-16H2,1H3.

What are the key properties of 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine?

2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 435.53 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 156712168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).