3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane

C23H44N4 — CID 170423334

IUPAC3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCC(CC(C)N3CCC4(CCNC4)CC3)NC2)CC1
InChIInChI=1S/C23H44N4/c1-19(2)26-12-7-22(8-13-26)5-4-21(25-18-22)16-20(3)27-14-9-23(10-15-27)6-11-24-17-23/h19-21,24-25H,4-18H2,1-3H3
InChIKeyPMJURFMZQLNCNK-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.08
Rot. Bonds4

About 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane

3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 170423334) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID170423334
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCC(CC(C)N3CCC4(CCNC4)CC3)NC2)CC1
InChIInChI=1S/C23H44N4/c1-19(2)26-12-7-22(8-13-26)5-4-21(25-18-22)16-20(3)27-14-9-23(10-15-27)6-11-24-17-23/h19-21,24-25H,4-18H2,1-3H3
InChIKeyPMJURFMZQLNCNK-UHFFFAOYSA-N
XLogP3.08
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
CID 129229164
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
CID 167259305
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
(3R)-3-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 162438959
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 163884377
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
8-propan-2-yl-2,8-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 162205455
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane (CID 170423334) is 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CCC(CC(C)N3CCC4(CCNC4)CC3)NC2)CC1.
What is the InChIKey of 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is PMJURFMZQLNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-19(2)26-12-7-22(8-13-26)5-4-21(25-18-22)16-20(3)27-14-9-23(10-15-27)6-11-24-17-23/h19-21,24-25H,4-18H2,1-3H3.
What are the key properties of 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane?
3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 376.63 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170423334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).