2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

C37H70N4 — CID 157210119

IUPAC2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCCC1CC2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCCC2C1
InChIInChI=1S/2C10H19N.C9H17N.C8H15N/c1-8(2)11-6-9-4-3-5-10(9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-4-7-3-8(7)5-9/h2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyARUIMNQZEOKALL-UHFFFAOYSA-N
MW571.00 g/mol
LogP7.76
Rot. Bonds4

About 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 157210119) has the molecular formula C37H70N4 and a molecular weight of 571.00 g/mol. Its IUPAC name is 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID157210119
Molecular FormulaC37H70N4
Molecular Weight571.00 g/mol
Exact Mass570.56
IUPAC Name2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCCC1CC2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCCC2C1
InChIInChI=1S/2C10H19N.C9H17N.C8H15N/c1-8(2)11-6-9-4-3-5-10(9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-4-7-3-8(7)5-9/h2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyARUIMNQZEOKALL-UHFFFAOYSA-N
XLogP7.76
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.00
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 159404960
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 160505363

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 157210119) is 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCCC2C1.
What is the InChIKey of 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is ARUIMNQZEOKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.C9H17N.C8H15N/c1-8(2)11-6-9-4-3-5-10(9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)9-4-7-3-8(7)5-9/h2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 571.00 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 157210119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).