4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane

C23H44N4 — CID 170139657

IUPAC4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CNCC2CC(C)(C)N1CCC2CCNC2C1
InChIInChI=1S/C23H44N4/c1-21(2,3)26-12-8-23(9-13-26)17-24-15-19(23)14-22(4,5)27-11-7-18-6-10-25-20(18)16-27/h18-20,24-25H,6-17H2,1-5H3
InChIKeyBIQXGFGCBHKOMU-UHFFFAOYSA-N
MW376.63 g/mol
LogP2.94
Rot. Bonds3

About 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane

4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane (PubChem CID 170139657) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane
PubChem CID170139657
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)CNCC2CC(C)(C)N1CCC2CCNC2C1
InChIInChI=1S/C23H44N4/c1-21(2,3)26-12-8-23(9-13-26)17-24-15-19(23)14-22(4,5)27-11-7-18-6-10-25-20(18)16-27/h18-20,24-25H,6-17H2,1-5H3
InChIKeyBIQXGFGCBHKOMU-UHFFFAOYSA-N
XLogP2.94
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

7-tert-butyl-1-chloro-2,3,4,4a,5,6,8,8a-octahydro-1H-2,7-naphthyridine
CID 168735170
(3aS,6aS)-5-[3-(2-methoxyethoxy)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 103414035
3-cyclohexyl-1-(2-cyclopropylpropan-2-yl)piperazine
CID 114112213
6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 131182942
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
1-[1-(1-tert-butylpiperidin-4-yl)cyclopropyl]piperazine
CID 176629950
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate
CID 137366133
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-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
CID 115015784

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane (CID 170139657) is 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)CNCC2CC(C)(C)N1CCC2CCNC2C1.
What is the InChIKey of 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BIQXGFGCBHKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-21(2,3)26-12-8-23(9-13-26)17-24-15-19(23)14-22(4,5)27-11-7-18-6-10-25-20(18)16-27/h18-20,24-25H,6-17H2,1-5H3.
What are the key properties of 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane?
4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane has a molecular weight of 376.63 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)-2-methylpropyl]-8-tert-butyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 170139657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).