8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane

C21H40N4 — CID 146389075

IUPAC8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCC(CCN3CCC4(CCCN4)CC3)NC2)C1
InChIInChI=1S/C21H40N4/c1-18(2)25-15-8-20(17-25)7-4-19(22-16-20)5-12-24-13-9-21(10-14-24)6-3-11-23-21/h18-19,22-23H,3-17H2,1-2H3
InChIKeyXVGYAJMREBOYIU-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.45
Rot. Bonds4

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

8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 146389075) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID146389075
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCC(CCN3CCC4(CCCN4)CC3)NC2)C1
InChIInChI=1S/C21H40N4/c1-18(2)25-15-8-20(17-25)7-4-19(22-16-20)5-12-24-13-9-21(10-14-24)6-3-11-23-21/h18-19,22-23H,3-17H2,1-2H3
InChIKeyXVGYAJMREBOYIU-UHFFFAOYSA-N
XLogP2.45
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane (CID 146389075) is 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane is CC(C)N1CCC2(CCC(CCN3CCC4(CCCN4)CC3)NC2)C1.
What is the InChIKey of 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is XVGYAJMREBOYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-18(2)25-15-8-20(17-25)7-4-19(22-16-20)5-12-24-13-9-21(10-14-24)6-3-11-23-21/h18-19,22-23H,3-17H2,1-2H3.
What are the key properties of 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane?
8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 348.58 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-propan-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 146389075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).