(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine

C219H464N28 — CID 159307611

IUPAC(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC2(CC1)CCN(C)CC2.CC(C)C1CCC2(CCNC2)CC1.CC(C)N1CC2(CCCCC2)C1.CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC(N2CCCCC2)C1.CC(C)N1CCC2(CC1)CC(N(C)C)C2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CCC(N(C)C)CC2)CC1.CC(C)N1CCC2(CCC2)CC1.CC(C)N1CCC2(CCCC2)CC1.CC(C)N1CCC2(CCCCC2)CC1.CC(C)N1CCC2(CCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CCNC2)CC1.CC(C)N1C[C@@H]2CN(C)C[C@]2(C)C1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C15H30N2.C14H27N.2C13H26N2.C13H25N.2C12H24N2.2C12H23N.5C11H22N2.2C11H21N.C10H20N2.16CH4/c1-13(2)17-11-9-15(10-12-17)7-5-14(6-8-15)16(3)4;1-12(2)13-4-6-14(7-5-13)8-10-15(3)11-9-14;1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-11(2)15-7-5-13(6-8-15)9-12(10-13)14(3)4;1-12(2)14-10-8-13(9-11-14)6-4-3-5-7-13;1-11(2)14-8-5-12(6-9-14)4-7-13(3)10-12;1-11(2)14-9-6-12(10-14)13-7-4-3-5-8-13;1-10(2)11-3-5-12(6-4-11)7-8-13-9-12;1-11(2)13-9-7-12(8-10-13)5-3-4-6-12;1-9(2)13-6-10-5-12(4)7-11(10,3)8-13;2*1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11;1-10(2)13-7-4-11(5-8-13)3-6-12-9-11;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-10(2)12-8-11(9-12)6-4-3-5-7-11;1-8(2)12-6-9-4-11(3)5-10(9)7-12;;;;;;;;;;;;;;;;/h13-14H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,5-10H2,1-4H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;10-11,13H,3-9H2,1-2H3;11H,3-10H2,1-2H3;9-10H,5-8H2,1-4H3;3*10H,4-9H2,1-3H3;10,12H,3-9H2,1-2H3;2*10H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;16*1H4/t;;;;;;;;;10-,11+;;;;;;;9-,10+;;;;;;;;;;;;;;;;/m.........0......................./s1
InChIKeyLCCRBFYKQZLMEV-ZAJNSDJQSA-N
MW3490.32 g/mol
LogP47.40
Rot. Bonds20

About (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine

(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine (PubChem CID 159307611) has the molecular formula C219H464N28 and a molecular weight of 3490.32 g/mol. Its IUPAC name is (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine.

Molecular Properties

Compound Name(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
PubChem CID159307611
Molecular FormulaC219H464N28
Molecular Weight3490.32 g/mol
Exact Mass3487.72
IUPAC Name(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC2(CC1)CCN(C)CC2.CC(C)C1CCC2(CCNC2)CC1.CC(C)N1CC2(CCCCC2)C1.CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC(N2CCCCC2)C1.CC(C)N1CCC2(CC1)CC(N(C)C)C2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CCC(N(C)C)CC2)CC1.CC(C)N1CCC2(CCC2)CC1.CC(C)N1CCC2(CCCC2)CC1.CC(C)N1CCC2(CCCCC2)CC1.CC(C)N1CCC2(CCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CCNC2)CC1.CC(C)N1C[C@@H]2CN(C)C[C@]2(C)C1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C15H30N2.C14H27N.2C13H26N2.C13H25N.2C12H24N2.2C12H23N.5C11H22N2.2C11H21N.C10H20N2.16CH4/c1-13(2)17-11-9-15(10-12-17)7-5-14(6-8-15)16(3)4;1-12(2)13-4-6-14(7-5-13)8-10-15(3)11-9-14;1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-11(2)15-7-5-13(6-8-15)9-12(10-13)14(3)4;1-12(2)14-10-8-13(9-11-14)6-4-3-5-7-13;1-11(2)14-8-5-12(6-9-14)4-7-13(3)10-12;1-11(2)14-9-6-12(10-14)13-7-4-3-5-8-13;1-10(2)11-3-5-12(6-4-11)7-8-13-9-12;1-11(2)13-9-7-12(8-10-13)5-3-4-6-12;1-9(2)13-6-10-5-12(4)7-11(10,3)8-13;2*1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11;1-10(2)13-7-4-11(5-8-13)3-6-12-9-11;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-10(2)12-8-11(9-12)6-4-3-5-7-11;1-8(2)12-6-9-4-11(3)5-10(9)7-12;;;;;;;;;;;;;;;;/h13-14H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,5-10H2,1-4H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;10-11,13H,3-9H2,1-2H3;11H,3-10H2,1-2H3;9-10H,5-8H2,1-4H3;3*10H,4-9H2,1-3H3;10,12H,3-9H2,1-2H3;2*10H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;16*1H4/t;;;;;;;;;10-,11+;;;;;;;9-,10+;;;;;;;;;;;;;;;;/m.........0......................./s1
InChIKeyLCCRBFYKQZLMEV-ZAJNSDJQSA-N
XLogP47.40
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003490.32
LogP ≤ 547.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
The IUPAC name of (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine (CID 159307611) is (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine.
What is the SMILES notation for (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
The canonical SMILES for (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC2(CC1)CCN(C)CC2.CC(C)C1CCC2(CCNC2)CC1.CC(C)N1CC2(CCCCC2)C1.CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC(N2CCCCC2)C1.CC(C)N1CCC2(CC1)CC(N(C)C)C2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCC2(CCC(N(C)C)CC2)CC1.CC(C)N1CCC2(CCC2)CC1.CC(C)N1CCC2(CCCC2)CC1.CC(C)N1CCC2(CCCCC2)CC1.CC(C)N1CCC2(CCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CCNC2)CC1.CC(C)N1C[C@@H]2CN(C)C[C@]2(C)C1.CC(C)N1C[C@H]2CN(C)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
The InChIKey is LCCRBFYKQZLMEV-ZAJNSDJQSA-N. The full InChI is InChI=1S/C15H30N2.C14H27N.2C13H26N2.C13H25N.2C12H24N2.2C12H23N.5C11H22N2.2C11H21N.C10H20N2.16CH4/c1-13(2)17-11-9-15(10-12-17)7-5-14(6-8-15)16(3)4;1-12(2)13-4-6-14(7-5-13)8-10-15(3)11-9-14;1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-11(2)15-7-5-13(6-8-15)9-12(10-13)14(3)4;1-12(2)14-10-8-13(9-11-14)6-4-3-5-7-13;1-11(2)14-8-5-12(6-9-14)4-7-13(3)10-12;1-11(2)14-9-6-12(10-14)13-7-4-3-5-8-13;1-10(2)11-3-5-12(6-4-11)7-8-13-9-12;1-11(2)13-9-7-12(8-10-13)5-3-4-6-12;1-9(2)13-6-10-5-12(4)7-11(10,3)8-13;2*1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11;1-10(2)13-7-4-11(5-8-13)3-6-12-9-11;1-10(2)12-8-6-11(7-9-12)4-3-5-11;1-10(2)12-8-11(9-12)6-4-3-5-7-11;1-8(2)12-6-9-4-11(3)5-10(9)7-12;;;;;;;;;;;;;;;;/h13-14H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,5-10H2,1-4H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;10-11,13H,3-9H2,1-2H3;11H,3-10H2,1-2H3;9-10H,5-8H2,1-4H3;3*10H,4-9H2,1-3H3;10,12H,3-9H2,1-2H3;2*10H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;16*1H4/t;;;;;;;;;10-,11+;;;;;;;9-,10+;;;;;;;;;;;;;;;;/m.........0......................./s1.
What are the key properties of (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine?
(3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine has a molecular weight of 3490.32 g/mol, XLogP of 47.40, 20 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2,3a-dimethyl-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N,N-dimethyl-7-propan-2-yl-7-azaspiro[3.5]nonan-2-amine;N,N-dimethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine;methane;3-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane);7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;8-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.5]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;3-propan-2-yl-3-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-(1-propan-2-ylpyrrolidin-3-yl)piperidine is sourced from PubChem (CID 159307611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).