2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine

C179H364N22 — CID 167604968

IUPAC2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C17H34N2.2C16H32N2.2C15H30N2.C14H28N2.C13H26N2.2C12H25N.2C11H23N.C10H22N2/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2)12(5)6-8-13(9-7-12)11(3)4;1-10(2,3)9-7-12(8-9)11(4,5)6;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h2*7-14H2,1-6H3;7-13H2,1-6H3;13-14H,7-12H2,1-6H3;2*7-12H2,1-6H3;11-12H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKGIZYZDUDSOENJ-UHFFFAOYSA-N
MW2825.03 g/mol
LogP37.98
Rot. Bonds6

About 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine

2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine (PubChem CID 167604968) has the molecular formula C179H364N22 and a molecular weight of 2825.03 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine
PubChem CID167604968
Molecular FormulaC179H364N22
Molecular Weight2825.03 g/mol
Exact Mass2822.92
IUPAC Name2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C17H34N2.2C16H32N2.2C15H30N2.C14H28N2.C13H26N2.2C12H25N.2C11H23N.C10H22N2/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2)12(5)6-8-13(9-7-12)11(3)4;1-10(2,3)9-7-12(8-9)11(4,5)6;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h2*7-14H2,1-6H3;7-13H2,1-6H3;13-14H,7-12H2,1-6H3;2*7-12H2,1-6H3;11-12H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKGIZYZDUDSOENJ-UHFFFAOYSA-N
XLogP37.98
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds6
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002825.03
LogP ≤ 537.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The IUPAC name of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine (CID 167604968) is 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine is CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The InChIKey is KGIZYZDUDSOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H34N2.2C16H32N2.2C15H30N2.C14H28N2.C13H26N2.2C12H25N.2C11H23N.C10H22N2/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-12-9-17(10-13-18)8-7-11-19(14-17)16(4,5)6;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2,3)16-9-7-8-15(10-16)11-17(12-15)14(4,5)6;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2)12(5)6-8-13(9-7-12)11(3)4;1-10(2,3)9-7-12(8-9)11(4,5)6;2*1-9(2)11-5-7-12(8-6-11)10(3)4/h2*7-14H2,1-6H3;7-13H2,1-6H3;13-14H,7-12H2,1-6H3;2*7-12H2,1-6H3;11-12H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine?
2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 2825.03 g/mol, XLogP of 37.98, 6 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;4-methyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 167604968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).