ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C58H123N9O — CID 160713583

IUPACethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC.CC.CC.CC.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC1C2.CC(C)N1CCN2C(=O)CCC2C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1
InChIInChI=1S/C11H22N2.C10H18N2O.C10H20N2.C9H17N.C8H16N2.5C2H6/c1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-8(2)11-5-6-12-9(7-11)3-4-10(12)13;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)10-5-7-3-8(10)4-9-7;5*1-2/h10-11H,3-9H2,1-2H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;5*1-2H3
InChIKeyRSEGKOQASYYRGJ-UHFFFAOYSA-N
MW962.68 g/mol
LogP10.89
Rot. Bonds5

About ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 160713583) has the molecular formula C58H123N9O and a molecular weight of 962.68 g/mol. Its IUPAC name is ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID160713583
Molecular FormulaC58H123N9O
Molecular Weight962.68 g/mol
Exact Mass961.99
IUPAC Nameethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC.CC.CC.CC.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC1C2.CC(C)N1CCN2C(=O)CCC2C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1
InChIInChI=1S/C11H22N2.C10H18N2O.C10H20N2.C9H17N.C8H16N2.5C2H6/c1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-8(2)11-5-6-12-9(7-11)3-4-10(12)13;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)10-5-7-3-8(10)4-9-7;5*1-2/h10-11H,3-9H2,1-2H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;5*1-2H3
InChIKeyRSEGKOQASYYRGJ-UHFFFAOYSA-N
XLogP10.89
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.68
LogP ≤ 510.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

bis(3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)piperidine);bis(N-methyl-N-(1-methylpyrrolidin-3-yl)-1-propan-2-ylpiperidin-4-amine);N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]acetamide;1-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-one
CID 157140079
1-[3-(Aminomethyl)piperidin-1-yl]-3-methylbutan-1-one;1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one;1-(3-aminopiperidin-1-yl)-3-methylbutan-1-one;1-(4-aminopiperidin-1-yl)-3-methylbutan-1-one;1-[2-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one;1-[3-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one;3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;3-methyl-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]butan-1-one;3-methyl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;3-methyl-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;3-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 157152053
2,6-dimethyl-1,4-di(propan-2-yl)piperazine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;2-methyl-1,4-di(propan-2-yl)piperazine;1-(4-propan-2-ylpiperazin-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine;1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 158330700
2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;methane;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 158936677
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 159699744
2,6-dimethyl-1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-3-amine;N,1-di(propan-2-yl)piperidin-4-amine;2-methyl-1,4-di(propan-2-yl)piperazine;N-methyl-1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;1-(4-propan-2-ylpiperazin-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine;1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine;1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-N-(1-propan-2-ylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 159766581
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 161590658
ethane;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 161616616

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 160713583) is ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC.CC.CC.CC.CC.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC1C2.CC(C)N1CCN2C(=O)CCC2C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.
What is the InChIKey of ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RSEGKOQASYYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H18N2O.C10H20N2.C9H17N.C8H16N2.5C2H6/c1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-8(2)11-5-6-12-9(7-11)3-4-10(12)13;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-7(2)10-6-8-3-4-9(10)5-8;1-6(2)10-5-7-3-8(10)4-9-7;5*1-2/h10-11H,3-9H2,1-2H3;8-9H,3-7H2,1-2H3;9-10H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;5*1-2H3.
What are the key properties of ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 962.68 g/mol, XLogP of 10.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 160713583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).