2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane

C40H86N6 — CID 159374099

IUPAC2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane
SMILESC.C.C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(CC1)CCN(C(C)C)C2
InChIInChI=1S/C14H28N2.C12H24N2.C11H22N2.3CH4/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;;;/h12-13H,5-11H2,1-4H3;9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;3*1H4
InChIKeyLKCCNPMVXVMJOL-UHFFFAOYSA-N
MW651.17 g/mol
LogP7.73
Rot. Bonds6

About 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane

2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane (PubChem CID 159374099) has the molecular formula C40H86N6 and a molecular weight of 651.17 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane
PubChem CID159374099
Molecular FormulaC40H86N6
Molecular Weight651.17 g/mol
Exact Mass650.69
IUPAC Name2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane
SMILESC.C.C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(CC1)CCN(C(C)C)C2
InChIInChI=1S/C14H28N2.C12H24N2.C11H22N2.3CH4/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;;;/h12-13H,5-11H2,1-4H3;9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;3*1H4
InChIKeyLKCCNPMVXVMJOL-UHFFFAOYSA-N
XLogP7.73
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.17
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane with MolForge

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Related Compounds

7-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-2,7-diazaspiro[3.4]octane
CID 167417671
1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;(1R,4R)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane;methane
CID 157338364
7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 167417400
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 164847437
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
methane;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;bis(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole);bis(2-propan-2-yl-2-azaspiro[3.3]heptane);2-propan-2-yl-2-azaspiro[4.4]nonane;4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 160942105
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane (CID 159374099) is 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane is C.C.C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane?
The InChIKey is LKCCNPMVXVMJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C12H24N2.C11H22N2.3CH4/c1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4;1-9(2)13-5-11-7-14(10(3)4)8-12(11)6-13;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;;;/h12-13H,5-11H2,1-4H3;9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;3*1H4.
What are the key properties of 2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane?
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane has a molecular weight of 651.17 g/mol, XLogP of 7.73, 6 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)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;methane is sourced from PubChem (CID 159374099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).