2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane

C85H174N6 — CID 159283302

IUPAC2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane
SMILESC.C.C.C.C.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CC2(CCN(C(C)C)C2)C1.CC(C)C1CC2(CCN(C(C)C)CC2)C1.CC(C)C1CC2CCC1CN2C(C)C.CC(C)C1CC2CN(C(C)C)CC2C1.CC(C)C1CCC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N.C14H27N.3C13H25N.C12H23N.5CH4/c1-12(2)14-5-6-15(11-14)7-9-16(10-8-15)13(3)4;1-11(2)13-9-14(10-13)5-7-15(8-6-14)12(3)4;1-9(2)11-5-12-7-14(10(3)4)8-13(12)6-11;1-10(2)12-7-13(8-12)5-6-14(9-13)11(3)4;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;;;;;/h12-14H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;9-13H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;9-13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5*1H4
InChIKeyKZEPKJQSTQKUTJ-UHFFFAOYSA-N
MW1280.37 g/mol
LogP22.73
Rot. Bonds12

About 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane

2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane (PubChem CID 159283302) has the molecular formula C85H174N6 and a molecular weight of 1280.37 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane
PubChem CID159283302
Molecular FormulaC85H174N6
Molecular Weight1280.37 g/mol
Exact Mass1279.38
IUPAC Name2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane
SMILESC.C.C.C.C.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CC2(CCN(C(C)C)C2)C1.CC(C)C1CC2(CCN(C(C)C)CC2)C1.CC(C)C1CC2CCC1CN2C(C)C.CC(C)C1CC2CN(C(C)C)CC2C1.CC(C)C1CCC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N.C14H27N.3C13H25N.C12H23N.5CH4/c1-12(2)14-5-6-15(11-14)7-9-16(10-8-15)13(3)4;1-11(2)13-9-14(10-13)5-7-15(8-6-14)12(3)4;1-9(2)11-5-12-7-14(10(3)4)8-13(12)6-11;1-10(2)12-7-13(8-12)5-6-14(9-13)11(3)4;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;;;;;/h12-14H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;9-13H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;9-13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5*1H4
InChIKeyKZEPKJQSTQKUTJ-UHFFFAOYSA-N
XLogP22.73
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.37
LogP ≤ 522.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane with MolForge

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Related Compounds

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 159373899
2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3-azabicyclo[3.1.1]heptane;3,6-di(propan-2-yl)-6-azabicyclo[3.1.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;1,3-di(propan-2-yl)azetidine
CID 161276682
methane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azaspiro[3.5]nonane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 161381451

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane?
The IUPAC name of 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane (CID 159283302) is 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane?
The canonical SMILES for 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane is C.C.C.C.C.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)C1CC2(CCN(C(C)C)C2)C1.CC(C)C1CC2(CCN(C(C)C)CC2)C1.CC(C)C1CC2CCC1CN2C(C)C.CC(C)C1CC2CN(C(C)C)CC2C1.CC(C)C1CCC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane?
The InChIKey is KZEPKJQSTQKUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C14H27N.3C13H25N.C12H23N.5CH4/c1-12(2)14-5-6-15(11-14)7-9-16(10-8-15)13(3)4;1-11(2)13-9-14(10-13)5-7-15(8-6-14)12(3)4;1-9(2)11-5-12-7-14(10(3)4)8-13(12)6-11;1-10(2)12-7-13(8-12)5-6-14(9-13)11(3)4;1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;;;;;/h12-14H,5-11H2,1-4H3;11-13H,5-10H2,1-4H3;9-13H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;9-13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5*1H4.
What are the key properties of 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane?
2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane has a molecular weight of 1280.37 g/mol, XLogP of 22.73, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;3,8-di(propan-2-yl)-8-azaspiro[4.5]decane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;2,7-di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;methane is sourced from PubChem (CID 159283302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).