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

C119H259N11 — CID 159633091

IUPACtetrakis(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
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)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.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/C17H34N2.C14H29N.2C13H27N.2C9H19N.4C8H17N.6C2H6/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(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/h7-14H2,1-6H3;8-11H2,1-7H3;2*11H,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
InChIKeyMPJOOZVZZNWVFY-DGRRTNNLSA-N
MW1844.46 g/mol
LogP32.14
Rot. Bonds

About 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

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 (PubChem CID 159633091) has the molecular formula C119H259N11 and a molecular weight of 1844.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametetrakis(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
PubChem CID159633091
Molecular FormulaC119H259N11
Molecular Weight1844.46 g/mol
Exact Mass1843.06
IUPAC Nametetrakis(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
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)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.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/C17H34N2.C14H29N.2C13H27N.2C9H19N.4C8H17N.6C2H6/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(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/h7-14H2,1-6H3;8-11H2,1-7H3;2*11H,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
InChIKeyMPJOOZVZZNWVFY-DGRRTNNLSA-N
XLogP32.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.46
LogP ≤ 532.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
CID 158043701
Bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 158149543
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158176484
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
5-Tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 159230799
2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane;bis(2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);bis((3R)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);bis((3S)-2-tert-butyl-6-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane);(3R)-6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane;(3S)-6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane;6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 159401765
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
2-Tert-butyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 159715575
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 160063488

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;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;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;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane (CID 159633091) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.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;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane?
The InChIKey is MPJOOZVZZNWVFY-DGRRTNNLSA-N. The full InChI is InChI=1S/C17H34N2.C14H29N.2C13H27N.2C9H19N.4C8H17N.6C2H6/c1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(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/h7-14H2,1-6H3;8-11H2,1-7H3;2*11H,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;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane?
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 has a molecular weight of 1844.46 g/mol, XLogP of 32.14, 0 rotatable bonds, 0 hydrogen bond donors, and 11 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;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine;bis(1,4-ditert-butylpiperidine);ethane is sourced from PubChem (CID 159633091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).