4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane

C25H43N3 — CID 135197153

IUPAC4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane
SMILESCC(C)N1CCC2C1C2C(C)(C)N1CC2C(C1)C2C1CCC2(CC2)N1C(C)C
InChIInChI=1S/C25H43N3/c1-15(2)27-12-8-17-22(23(17)27)24(5,6)26-13-18-19(14-26)21(18)20-7-9-25(10-11-25)28(20)16(3)4/h15-23H,7-14H2,1-6H3
InChIKeyARQFADVGQZJUMC-UHFFFAOYSA-N
MW385.64 g/mol
LogP4.08
Rot. Bonds5

About 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane

4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane (PubChem CID 135197153) has the molecular formula C25H43N3 and a molecular weight of 385.64 g/mol. Its IUPAC name is 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane
PubChem CID135197153
Molecular FormulaC25H43N3
Molecular Weight385.64 g/mol
Exact Mass385.35
IUPAC Name4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane
SMILESCC(C)N1CCC2C1C2C(C)(C)N1CC2C(C1)C2C1CCC2(CC2)N1C(C)C
InChIInChI=1S/C25H43N3/c1-15(2)27-12-8-17-22(23(17)27)24(5,6)26-13-18-19(14-26)21(18)20-7-9-25(10-11-25)28(20)16(3)4/h15-23H,7-14H2,1-6H3
InChIKeyARQFADVGQZJUMC-UHFFFAOYSA-N
XLogP4.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane?
The IUPAC name of 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane (CID 135197153) is 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane.
What is the SMILES notation for 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane?
The canonical SMILES for 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane is CC(C)N1CCC2C1C2C(C)(C)N1CC2C(C1)C2C1CCC2(CC2)N1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane?
The InChIKey is ARQFADVGQZJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3/c1-15(2)27-12-8-17-22(23(17)27)24(5,6)26-13-18-19(14-26)21(18)20-7-9-25(10-11-25)28(20)16(3)4/h15-23H,7-14H2,1-6H3.
What are the key properties of 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane?
4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane has a molecular weight of 385.64 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane is sourced from PubChem (CID 135197153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).