8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane

C30H53F3N4 — CID 170255682

About 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane

8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 170255682) has the molecular formula C30H53F3N4 and a molecular weight of 526.78 g/mol. Its IUPAC name is 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane
• PubChem CID: 170255682
• Molecular Formula: C30H53F3N4
• Molecular Weight: 526.78 g/mol
• Exact Mass: 526.42
• IUPAC Name: 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane
• SMILES: CC(C)(C)N1CCC2(CC1)CC(CC(C)(C)N1CCC3(CCCN3CC3CC3)CC1)CN2CC(F)(F)F
• InChI: InChI=1S/C30H53F3N4/c1-26(2,3)34-15-12-29(13-16-34)20-25(22-37(29)23-30(31,32)33)19-27(4,5)35-17-10-28(11-18-35)9-6-14-36(28)21-24-7-8-24/h24-25H,6-23H2,1-5H3
• InChIKey: GNLPOSNZTRGHBK-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.78
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane?

The IUPAC name of 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane (CID 170255682) is 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane.

What is the SMILES notation for 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane?

The canonical SMILES for 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)CC(CC(C)(C)N1CCC3(CCCN3CC3CC3)CC1)CN2CC(F)(F)F.

What is the InChIKey of 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane?

The InChIKey is GNLPOSNZTRGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53F3N4/c1-26(2,3)34-15-12-29(13-16-34)20-25(22-37(29)23-30(31,32)33)19-27(4,5)35-17-10-28(11-18-35)9-6-14-36(28)21-24-7-8-24/h24-25H,6-23H2,1-5H3.

What are the key properties of 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane?

8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 526.78 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-3-[2-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropyl]-1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 170255682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).