8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

C121H258N26O — CID 158696438

IUPAC8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)C1CN(C(C)C)CCN1.CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCNCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNC2(CC2)C1.CC(C)N1CCNCC1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1.COC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H24N2O.2C11H22N2.C10H20N2.C10H22N2.C9H18N2.3C9H20N2.3C8H18N2.C7H16N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)10-7-12(9(3)4)6-5-11-10;1-8(2)11-6-5-10-9(7-11)3-4-9;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-9-7-11(8(2)3)6-5-10-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-5-3-8-4-6-9/h10-12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-11H,5-7H2,1-4H3;8,10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyIGZULXSIHDLYCU-UHFFFAOYSA-N
MW2093.58 g/mol
LogP13.21
Rot. Bonds18

About 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 158696438) has the molecular formula C121H258N26O and a molecular weight of 2093.58 g/mol. Its IUPAC name is 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID158696438
Molecular FormulaC121H258N26O
Molecular Weight2093.58 g/mol
Exact Mass2092.09
IUPAC Name8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)C1CN(C(C)C)CCN1.CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCNCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNC2(CC2)C1.CC(C)N1CCNCC1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1.COC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H24N2O.2C11H22N2.C10H20N2.C10H22N2.C9H18N2.3C9H20N2.3C8H18N2.C7H16N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)10-7-12(9(3)4)6-5-11-10;1-8(2)11-6-5-10-9(7-11)3-4-9;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-9-7-11(8(2)3)6-5-10-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-5-3-8-4-6-9/h10-12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-11H,5-7H2,1-4H3;8,10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyIGZULXSIHDLYCU-UHFFFAOYSA-N
XLogP13.21
TPSA163.79 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002093.58
LogP ≤ 513.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (CID 158696438) is 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is CC(C)C1CN(C(C)C)CCN1.CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCNCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNC2(CC2)C1.CC(C)N1CCNCC1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1.COC1CN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is IGZULXSIHDLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2C11H22N2.C10H20N2.C10H22N2.C9H18N2.3C9H20N2.3C8H18N2.C7H16N2/c1-10(2)13-6-4-11(5-7-13)14-8-12(9-14)15-3;1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)10-7-12(9(3)4)6-5-11-10;1-8(2)11-6-5-10-9(7-11)3-4-9;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-9-7-11(8(2)3)6-5-10-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-8(2)10-6-3-4-9-5-7-10;1-7(2)9-5-3-8-4-6-9/h10-12H,4-9H2,1-3H3;10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8-11H,5-7H2,1-4H3;8,10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 2093.58 g/mol, XLogP of 13.21, 18 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperazine;4-(3-methoxyazetidin-1-yl)-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 158696438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).