9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane

C24H44N6 — CID 167199396

IUPAC9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)CCC(C1CCNC3(CCN(C4CNCC5(CCNC5)C4)C3)C1)N2
InChIInChI=1S/C24H44N6/c1-3-23(5-10-25-11-6-23)29-21(1)19-2-8-28-24(13-19)7-12-30(18-24)20-14-22(17-27-15-20)4-9-26-16-22/h19-21,25-29H,1-18H2
InChIKeyOMRCNAYVWFZAPQ-UHFFFAOYSA-N
MW416.66 g/mol
LogP0.65
Rot. Bonds2

About 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane

9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane (PubChem CID 167199396) has the molecular formula C24H44N6 and a molecular weight of 416.66 g/mol. Its IUPAC name is 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane
PubChem CID167199396
Molecular FormulaC24H44N6
Molecular Weight416.66 g/mol
Exact Mass416.36
IUPAC Name9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)CCC(C1CCNC3(CCN(C4CNCC5(CCNC5)C4)C3)C1)N2
InChIInChI=1S/C24H44N6/c1-3-23(5-10-25-11-6-23)29-21(1)19-2-8-28-24(13-19)7-12-30(18-24)20-14-22(17-27-15-20)4-9-26-16-22/h19-21,25-29H,1-18H2
InChIKeyOMRCNAYVWFZAPQ-UHFFFAOYSA-N
XLogP0.65
TPSA63.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.66
LogP ≤ 50.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane?
The IUPAC name of 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane (CID 167199396) is 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane?
The canonical SMILES for 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane is C1CC2(CCN1)CCC(C1CCNC3(CCN(C4CNCC5(CCNC5)C4)C3)C1)N2.
What is the InChIKey of 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane?
The InChIKey is OMRCNAYVWFZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N6/c1-3-23(5-10-25-11-6-23)29-21(1)19-2-8-28-24(13-19)7-12-30(18-24)20-14-22(17-27-15-20)4-9-26-16-22/h19-21,25-29H,1-18H2.
What are the key properties of 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane?
9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane has a molecular weight of 416.66 g/mol, XLogP of 0.65, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,8-diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 167199396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).