2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane

C25H46N6 — CID 163571894

IUPAC2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane
SMILESCN1CC2(CCNC(C3CC4(CCN(C5CCNCC56CCN(C)C6)C4)CN3C)C2)C1
InChIInChI=1S/C25H46N6/c1-28-10-7-25(19-28)14-26-8-4-22(25)31-11-6-24(18-31)13-21(30(3)17-24)20-12-23(5-9-27-20)15-29(2)16-23/h20-22,26-27H,4-19H2,1-3H3
InChIKeyGABGPGPXPXVKCY-UHFFFAOYSA-N
MW430.69 g/mol
LogP0.75
Rot. Bonds2

About 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane

2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane (PubChem CID 163571894) has the molecular formula C25H46N6 and a molecular weight of 430.69 g/mol. Its IUPAC name is 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane
PubChem CID163571894
Molecular FormulaC25H46N6
Molecular Weight430.69 g/mol
Exact Mass430.38
IUPAC Name2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane
SMILESCN1CC2(CCNC(C3CC4(CCN(C5CCNCC56CCN(C)C6)C4)CN3C)C2)C1
InChIInChI=1S/C25H46N6/c1-28-10-7-25(19-28)14-26-8-4-22(25)31-11-6-24(18-31)13-21(30(3)17-24)20-12-23(5-9-27-20)15-29(2)16-23/h20-22,26-27H,4-19H2,1-3H3
InChIKeyGABGPGPXPXVKCY-UHFFFAOYSA-N
XLogP0.75
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.69
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane (CID 163571894) is 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane is CN1CC2(CCNC(C3CC4(CCN(C5CCNCC56CCN(C)C6)C4)CN3C)C2)C1.
What is the InChIKey of 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane?
The InChIKey is GABGPGPXPXVKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N6/c1-28-10-7-25(19-28)14-26-8-4-22(25)31-11-6-24(18-31)13-21(30(3)17-24)20-12-23(5-9-27-20)15-29(2)16-23/h20-22,26-27H,4-19H2,1-3H3.
What are the key properties of 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane?
2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane has a molecular weight of 430.69 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[7-methyl-8-(2-methyl-2,7-diazaspiro[3.5]nonan-6-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 163571894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).