7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane

C37H70N8 — CID 170142862

IUPAC7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane
SMILESCCC(C)(N1CCC2(CNC2)C1)C(C)(CC(C)(CCC(C)(C)N1CCC2(CC1)CNC2)N1CCNCC1)N1CC2(CCNC2)C1
InChIInChI=1S/C37H70N8/c1-7-33(5,44-19-13-36(28-44)25-41-26-36)34(6,45-29-37(30-45)10-14-39-27-37)22-32(4,43-20-15-38-16-21-43)9-8-31(2,3)42-17-11-35(12-18-42)23-40-24-35/h38-41H,7-30H2,1-6H3
InChIKeyGTEPFXDBRGTEBT-UHFFFAOYSA-N
MW627.02 g/mol
LogP2.80
Rot. Bonds11

About 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane

7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 170142862) has the molecular formula C37H70N8 and a molecular weight of 627.02 g/mol. Its IUPAC name is 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID170142862
Molecular FormulaC37H70N8
Molecular Weight627.02 g/mol
Exact Mass626.57
IUPAC Name7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane
SMILESCCC(C)(N1CCC2(CNC2)C1)C(C)(CC(C)(CCC(C)(C)N1CCC2(CC1)CNC2)N1CCNCC1)N1CC2(CCNC2)C1
InChIInChI=1S/C37H70N8/c1-7-33(5,44-19-13-36(28-44)25-41-26-36)34(6,45-29-37(30-45)10-14-39-27-37)22-32(4,43-20-15-38-16-21-43)9-8-31(2,3)42-17-11-35(12-18-42)23-40-24-35/h38-41H,7-30H2,1-6H3
InChIKeyGTEPFXDBRGTEBT-UHFFFAOYSA-N
XLogP2.80
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.02
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane (CID 170142862) is 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane is CCC(C)(N1CCC2(CNC2)C1)C(C)(CC(C)(CCC(C)(C)N1CCC2(CC1)CNC2)N1CCNCC1)N1CC2(CCNC2)C1.
What is the InChIKey of 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is GTEPFXDBRGTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70N8/c1-7-33(5,44-19-13-36(28-44)25-41-26-36)34(6,45-29-37(30-45)10-14-39-27-37)22-32(4,43-20-15-38-16-21-43)9-8-31(2,3)42-17-11-35(12-18-42)23-40-24-35/h38-41H,7-30H2,1-6H3.
What are the key properties of 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane?
7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 627.02 g/mol, XLogP of 2.80, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(2,6-diazaspiro[3.4]octan-6-yl)-7-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,7,8-tetramethyl-5-piperazin-1-yldecan-2-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 170142862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).