2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane

C25H48N4 — CID 167227258

IUPAC2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCN(C(C)CCC(C)N3CC4(CCN(C(C)C)C4)C3)CC2)C1
InChIInChI=1S/C25H48N4/c1-20(2)27-14-11-25(17-27)18-29(19-25)23(6)8-7-22(5)26-12-9-24(10-13-26)15-28(16-24)21(3)4/h20-23H,7-19H2,1-6H3
InChIKeyZLIIPKHEYLVBTR-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.77
Rot. Bonds7

About 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane

2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 167227258) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID167227258
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCN(C(C)CCC(C)N3CC4(CCN(C(C)C)C4)C3)CC2)C1
InChIInChI=1S/C25H48N4/c1-20(2)27-14-11-25(17-27)18-29(19-25)23(6)8-7-22(5)26-12-9-24(10-13-26)15-28(16-24)21(3)4/h20-23H,7-19H2,1-6H3
InChIKeyZLIIPKHEYLVBTR-UHFFFAOYSA-N
XLogP3.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane (CID 167227258) is 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane is CC(C)N1CC2(CCN(C(C)CCC(C)N3CC4(CCN(C(C)C)C4)C3)CC2)C1.
What is the InChIKey of 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZLIIPKHEYLVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4/c1-20(2)27-14-11-25(17-27)18-29(19-25)23(6)8-7-22(5)26-12-9-24(10-13-26)15-28(16-24)21(3)4/h20-23H,7-19H2,1-6H3.
What are the key properties of 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane?
2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 404.69 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-[5-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 167227258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).