2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium

C88H154N10O3ReRh-2 — CID 160804327

IUPAC2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium
SMILESCC(=O)N1CC2CC(C1)CN(C(C)(C)C)C2.CC(C)(C)N1C(=O)CCc2ccccc21.CC(C)(C)N1C(=O)Cc2ccccc21.CC(C)(C)N1CCC2(CC[N-]C2)CC1.CC(C)(C)N1CCC2CCCCC2C1.CC(C)(C)N1CCCC2CCCCC21.CC(C)(C)N1CCN2CCCC2C1.[CH3-].[Re].[Rh]
InChIInChI=1S/C13H24N2O.C13H17NO.2C13H25N.C12H23N2.C12H15NO.C11H22N2.CH3.Re.Rh/c1-10(16)14-6-11-5-12(7-14)9-15(8-11)13(2,3)4;1-13(2,3)14-11-7-5-4-6-10(11)8-9-12(14)15;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)13-10-7-5-4-6-9(10)8-11(13)14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;;;/h11-12H,5-9H2,1-4H3;4-7H,8-9H2,1-3H3;2*11-12H,4-10H2,1-3H3;4-10H2,1-3H3;4-7H,8H2,1-3H3;10H,4-9H2,1-3H3;1H3;;/q;;;;-1;;;-1;;
InChIKeySELDENYFCLDLGV-UHFFFAOYSA-N
MW1689.38 g/mol
LogP18.11
Rot. Bonds

About 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium

2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium (PubChem CID 160804327) has the molecular formula C88H154N10O3ReRh-2 and a molecular weight of 1689.38 g/mol. Its IUPAC name is 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium.

Molecular Properties

Compound Name2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium
PubChem CID160804327
Molecular FormulaC88H154N10O3ReRh-2
Molecular Weight1689.38 g/mol
Exact Mass1689.08
IUPAC Name2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium
SMILESCC(=O)N1CC2CC(C1)CN(C(C)(C)C)C2.CC(C)(C)N1C(=O)CCc2ccccc21.CC(C)(C)N1C(=O)Cc2ccccc21.CC(C)(C)N1CCC2(CC[N-]C2)CC1.CC(C)(C)N1CCC2CCCCC2C1.CC(C)(C)N1CCCC2CCCCC21.CC(C)(C)N1CCN2CCCC2C1.[CH3-].[Re].[Rh]
InChIInChI=1S/C13H24N2O.C13H17NO.2C13H25N.C12H23N2.C12H15NO.C11H22N2.CH3.Re.Rh/c1-10(16)14-6-11-5-12(7-14)9-15(8-11)13(2,3)4;1-13(2,3)14-11-7-5-4-6-10(11)8-9-12(14)15;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)13-10-7-5-4-6-9(10)8-11(13)14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;;;/h11-12H,5-9H2,1-4H3;4-7H,8-9H2,1-3H3;2*11-12H,4-10H2,1-3H3;4-10H2,1-3H3;4-7H,8H2,1-3H3;10H,4-9H2,1-3H3;1H3;;/q;;;;-1;;;-1;;
InChIKeySELDENYFCLDLGV-UHFFFAOYSA-N
XLogP18.11
TPSA94.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001689.38
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium with MolForge

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Related Compounds

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone
CID 142638311
2-tert-butyl-3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]azepine;3-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-3-azabicyclo[4.2.0]octane;7-tert-butyl-6-oxabicyclo[3.2.0]heptane;2-tert-butyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;3,3-ditert-butyl-2H-1,4-benzodioxine;3,3-ditert-butyl-1,2-dihydroindole;methane
CID 165100761
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
11-tert-butyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 76659535
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;methanamine
CID 161009351
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 95296662
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79938702

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium?
The IUPAC name of 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium (CID 160804327) is 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium.
What is the SMILES notation for 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium?
The canonical SMILES for 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium is CC(=O)N1CC2CC(C1)CN(C(C)(C)C)C2.CC(C)(C)N1C(=O)CCc2ccccc21.CC(C)(C)N1C(=O)Cc2ccccc21.CC(C)(C)N1CCC2(CC[N-]C2)CC1.CC(C)(C)N1CCC2CCCCC2C1.CC(C)(C)N1CCCC2CCCCC21.CC(C)(C)N1CCN2CCCC2C1.[CH3-].[Re].[Rh].
What is the InChIKey of 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium?
The InChIKey is SELDENYFCLDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C13H17NO.2C13H25N.C12H23N2.C12H15NO.C11H22N2.CH3.Re.Rh/c1-10(16)14-6-11-5-12(7-14)9-15(8-11)13(2,3)4;1-13(2,3)14-11-7-5-4-6-10(11)8-9-12(14)15;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)13-10-7-5-4-6-9(10)8-11(13)14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;;;/h11-12H,5-9H2,1-4H3;4-7H,8-9H2,1-3H3;2*11-12H,4-10H2,1-3H3;4-10H2,1-3H3;4-7H,8H2,1-3H3;10H,4-9H2,1-3H3;1H3;;/q;;;;-1;;;-1;;.
What are the key properties of 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium?
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium has a molecular weight of 1689.38 g/mol, XLogP of 18.11, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;1-(7-tert-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone;1-tert-butyl-3,4-dihydroquinolin-2-one;1-tert-butyl-3H-indol-2-one;carbanide;rhenium;rhodium is sourced from PubChem (CID 160804327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).