tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane

C100H222N10 — CID 159510879

IUPACtetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/2C13H27N.C12H26N2.2C9H19N.4C8H17N.6C2H6/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;2*1-8-5-6-10(7-8)9(2,3)4;4*1-7-5-9(6-7)8(2,3)4;6*1-2/h2*11H,7-10H2,1-6H3;7-10H2,1-6H3;2*8H,5-7H2,1-4H3;4*7H,5-6H2,1-4H3;6*1-2H3/t;;;2*8-;;;;;;;;;;/m...10........../s1
InChIKeyMAOXHJLIEPYBSZ-YRAPGYHMSA-N
MW1564.95 g/mol
LogP26.64
Rot. Bonds

About tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane

tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane (PubChem CID 159510879) has the molecular formula C100H222N10 and a molecular weight of 1564.95 g/mol. Its IUPAC name is tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane.

Molecular Properties

Compound Nametetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane
PubChem CID159510879
Molecular FormulaC100H222N10
Molecular Weight1564.95 g/mol
Exact Mass1563.77
IUPAC Nametetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/2C13H27N.C12H26N2.2C9H19N.4C8H17N.6C2H6/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;2*1-8-5-6-10(7-8)9(2,3)4;4*1-7-5-9(6-7)8(2,3)4;6*1-2/h2*11H,7-10H2,1-6H3;7-10H2,1-6H3;2*8H,5-7H2,1-4H3;4*7H,5-6H2,1-4H3;6*1-2H3/t;;;2*8-;;;;;;;;;;/m...10........../s1
InChIKeyMAOXHJLIEPYBSZ-YRAPGYHMSA-N
XLogP26.64
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001564.95
LogP ≤ 526.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-(1-tert-butylazetidin-3-yl)-2-[2-[(2R,6S)-1-tert-butyl-4-(1-tert-butylazetidin-3-yl)-6-[[4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidin-3-yl]methyl]piperazin-2-yl]ethyl]-6-methylpiperazine
CID 146548787
2,6-Di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine
CID 157118836
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 157462762
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);ethane
CID 157465865
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 157557675
2,7-Di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;1,4-di(propan-2-yl)piperazine
CID 157869406
bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 158564155
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-methylazetidine;1-methylpiperidine;1-methylpyrrolidine
CID 159478610
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane
CID 159633091
2,6-Di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane
CID 159931705
tetrakis(1,3-ditert-butylazetidine);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);(3R)-1,3-ditert-butylpyrrolidine;(3S)-1,3-ditert-butylpyrrolidine
CID 160099104
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);propane
CID 160299432

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane?
The IUPAC name of tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane (CID 159510879) is tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane.
What is the SMILES notation for tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane?
The canonical SMILES for tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane is CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane?
The InChIKey is MAOXHJLIEPYBSZ-YRAPGYHMSA-N. The full InChI is InChI=1S/2C13H27N.C12H26N2.2C9H19N.4C8H17N.6C2H6/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;2*1-8-5-6-10(7-8)9(2,3)4;4*1-7-5-9(6-7)8(2,3)4;6*1-2/h2*11H,7-10H2,1-6H3;7-10H2,1-6H3;2*8H,5-7H2,1-4H3;4*7H,5-6H2,1-4H3;6*1-2H3/t;;;2*8-;;;;;;;;;;/m...10........../s1.
What are the key properties of tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane?
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane has a molecular weight of 1564.95 g/mol, XLogP of 26.64, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane is sourced from PubChem (CID 159510879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).