7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane

C21H38N2 — CID 166559678

IUPAC7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2CN(C3CC4(CCN(C(C)C)CC4)C3)CC2C1
InChIInChI=1S/C21H38N2/c1-15(2)17-9-18-13-23(14-19(18)10-17)20-11-21(12-20)5-7-22(8-6-21)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyWIJJJHMFCFOXQF-UHFFFAOYSA-N
MW318.55 g/mol
LogP4.25
Rot. Bonds3

About 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane

7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane (PubChem CID 166559678) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane
PubChem CID166559678
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2CN(C3CC4(CCN(C(C)C)CC4)C3)CC2C1
InChIInChI=1S/C21H38N2/c1-15(2)17-9-18-13-23(14-19(18)10-17)20-11-21(12-20)5-7-22(8-6-21)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyWIJJJHMFCFOXQF-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane (CID 166559678) is 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane is CC(C)C1CC2CN(C3CC4(CCN(C(C)C)CC4)C3)CC2C1.
What is the InChIKey of 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane?
The InChIKey is WIJJJHMFCFOXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-15(2)17-9-18-13-23(14-19(18)10-17)20-11-21(12-20)5-7-22(8-6-21)16(3)4/h15-20H,5-14H2,1-4H3.
What are the key properties of 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane?
7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane has a molecular weight of 318.55 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166559678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).