7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine

C31H58N6 — CID 141390098

IUPAC7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine
SMILESCCCCCCCCCC1(C23CCNCC2CCN3)N(C)CCC2CCNC21C12NCCCC1CCN2
InChIInChI=1S/C31H58N6/c1-3-4-5-6-7-8-9-16-29(28-17-22-32-24-27(28)14-19-33-28)30(25(12-20-34-30)15-23-37(29)2)31-26(13-21-36-31)11-10-18-35-31/h25-27,32-36H,3-24H2,1-2H3
InChIKeyAFTWCYOHKUGOAY-UHFFFAOYSA-N
MW514.85 g/mol
LogP3.58
Rot. Bonds10

About 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine

7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine (PubChem CID 141390098) has the molecular formula C31H58N6 and a molecular weight of 514.85 g/mol. Its IUPAC name is 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine
PubChem CID141390098
Molecular FormulaC31H58N6
Molecular Weight514.85 g/mol
Exact Mass514.47
IUPAC Name7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine
SMILESCCCCCCCCCC1(C23CCNCC2CCN3)N(C)CCC2CCNC21C12NCCCC1CCN2
InChIInChI=1S/C31H58N6/c1-3-4-5-6-7-8-9-16-29(28-17-22-32-24-27(28)14-19-33-28)30(25(12-20-34-30)15-23-37(29)2)31-26(13-21-36-31)11-10-18-35-31/h25-27,32-36H,3-24H2,1-2H3
InChIKeyAFTWCYOHKUGOAY-UHFFFAOYSA-N
XLogP3.58
TPSA63.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.85
LogP ≤ 53.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine
CID 69173071
CID 71194007
CID 71194007
4-[2-[7-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-2-yl]-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine
CID 126748022
5-Tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 134228091
1-Tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 158421165
10-(1,2,4,4a,5,5a,6,7,8,9a-Decahydropyrido[3,4-b]pyrrolizin-3-yl)-1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-b]indolizine
CID 169578439

Frequently Asked Questions

What is the IUPAC name of 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine (CID 141390098) is 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine is CCCCCCCCCC1(C23CCNCC2CCN3)N(C)CCC2CCNC21C12NCCCC1CCN2.
What is the InChIKey of 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine?
The InChIKey is AFTWCYOHKUGOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N6/c1-3-4-5-6-7-8-9-16-29(28-17-22-32-24-27(28)14-19-33-28)30(25(12-20-34-30)15-23-37(29)2)31-26(13-21-36-31)11-10-18-35-31/h25-27,32-36H,3-24H2,1-2H3.
What are the key properties of 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine?
7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine has a molecular weight of 514.85 g/mol, XLogP of 3.58, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(1,2,3,3a,4,5,6,7-octahydropyrrolo[2,3-b]pyridin-7a-yl)-7-(1,2,3,3a,4,5,6,7-octahydropyrrolo[3,2-c]pyridin-7a-yl)-6-methyl-7-nonyl-1,2,3,3a,4,5-hexahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141390098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).