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

C125H242N10 — CID 161276682

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[2.2.1]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
SMILESCC(C)C1C2CC1CN(C(C)C)C2.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)C1CC2CC(C1)N2C(C)C.CC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CCC1CN2C(C)C.CC(C)C1CC2CN(C(C)C)CC2C1.CC(C)C1CCC2(CCN(C(C)C)CC2)C1.CC(C)C1CN(C(C)C)C1
InChIInChI=1S/C15H29N.C14H27N.3C13H25N.4C12H23N.C9H19N/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;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-10-5-11(12)7-13(6-10)9(3)4;1-8(2)10-5-11-7-12(6-10)13(11)9(3)4;1-7(2)9-5-10(6-9)8(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;3*8-12H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyVENJTXBBLPVOCZ-UHFFFAOYSA-N
MW1885.38 g/mol
LogP29.82
Rot. Bonds20

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[2.2.1]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

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 (PubChem CID 161276682) has the molecular formula C125H242N10 and a molecular weight of 1885.38 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[2.2.1]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.

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[2.2.1]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
PubChem CID161276682
Molecular FormulaC125H242N10
Molecular Weight1885.38 g/mol
Exact Mass1883.92
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[2.2.1]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
SMILESCC(C)C1C2CC1CN(C(C)C)C2.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)C1CC2CC(C1)N2C(C)C.CC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CCC1CN2C(C)C.CC(C)C1CC2CN(C(C)C)CC2C1.CC(C)C1CCC2(CCN(C(C)C)CC2)C1.CC(C)C1CN(C(C)C)C1
InChIInChI=1S/C15H29N.C14H27N.3C13H25N.4C12H23N.C9H19N/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;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-10-5-11(12)7-13(6-10)9(3)4;1-8(2)10-5-11-7-12(6-10)13(11)9(3)4;1-7(2)9-5-10(6-9)8(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;3*8-12H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyVENJTXBBLPVOCZ-UHFFFAOYSA-N
XLogP29.82
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001885.38
LogP ≤ 529.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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[2.2.1]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 with MolForge

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Related Compounds

2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
CID 158295718
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

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[2.2.1]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?
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[2.2.1]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) 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[2.2.1]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.
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[2.2.1]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?
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[2.2.1]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 is CC(C)C1C2CC1CN(C(C)C)C2.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)C1CC2CC(C1)N2C(C)C.CC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CCC1CN2C(C)C.CC(C)C1CC2CN(C(C)C)CC2C1.CC(C)C1CCC2(CCN(C(C)C)CC2)C1.CC(C)C1CN(C(C)C)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[2.2.1]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?
The InChIKey is VENJTXBBLPVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C14H27N.3C13H25N.4C12H23N.C9H19N/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;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-10-5-11(12)7-13(6-10)9(3)4;1-8(2)10-5-11-7-12(6-10)13(11)9(3)4;1-7(2)9-5-10(6-9)8(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;3*8-12H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3.
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[2.2.1]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?
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 has a molecular weight of 1885.38 g/mol, XLogP of 29.82, 20 rotatable bonds, 0 hydrogen bond donors, and 10 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[2.2.1]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 is sourced from PubChem (CID 161276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).