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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)

C66H138N10 — CID 160904602

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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.C11H22N2.C11H24N2.2C11H23N.C10H22N2/c1-9(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;1-10(2)12-6-5-7-13(9-8-12)11(3)4;3*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;10-11H,5-9H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeySPYSPUYYEMDPBN-UHFFFAOYSA-N
MW1071.90 g/mol
LogP11.99
Rot. Bonds12

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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)

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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) (PubChem CID 160904602) has the molecular formula C66H138N10 and a molecular weight of 1071.90 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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine).

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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
PubChem CID160904602
Molecular FormulaC66H138N10
Molecular Weight1071.90 g/mol
Exact Mass1071.11
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.C11H22N2.C11H24N2.2C11H23N.C10H22N2/c1-9(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;1-10(2)12-6-5-7-13(9-8-12)11(3)4;3*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;10-11H,5-9H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeySPYSPUYYEMDPBN-UHFFFAOYSA-N
XLogP11.99
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.90
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) with MolForge

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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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) (CID 160904602) 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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine).
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) is CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CN(C(C)C)CC2C1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
The InChIKey is SPYSPUYYEMDPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H22N2.C11H24N2.2C11H23N.C10H22N2/c1-9(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;1-10(2)12-6-5-7-13(9-8-12)11(3)4;3*1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3;8-11H,5-7H2,1-4H3;10-11H,5-9H2,1-4H3;2*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)?
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;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) has a molecular weight of 1071.90 g/mol, XLogP of 11.99, 12 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)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine) is sourced from PubChem (CID 160904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).