tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine

C53H109N3 — CID 164979916

IUPACtert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCNC1
InChIInChI=1S/2C10H20.C9H19N.2C8H17N.C8H16/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-5-4-6-7/h2*9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyFIJDZADTQFAMSE-UHFFFAOYSA-N
MW788.48 g/mol
LogP15.66
Rot. Bonds

About tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine

tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine (PubChem CID 164979916) has the molecular formula C53H109N3 and a molecular weight of 788.48 g/mol. Its IUPAC name is tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine.

Molecular Properties

Compound Nametert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
PubChem CID164979916
Molecular FormulaC53H109N3
Molecular Weight788.48 g/mol
Exact Mass787.86
IUPAC Nametert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCNC1
InChIInChI=1S/2C10H20.C9H19N.2C8H17N.C8H16/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-5-4-6-7/h2*9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyFIJDZADTQFAMSE-UHFFFAOYSA-N
XLogP15.66
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.48
LogP ≤ 515.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-tert-butylpiperidine
CID 59772800
tert-butylcyclohexane;bis(2-tert-butyloxane);bis(3-tert-butyloxane);4-tert-butyloxane;2-tert-butylpiperazine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine
CID 158338230
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009
2-tert-butylpyrrolidine;methane
CID 174978961
bis(tert-butylcyclohexane);(3R)-3-tert-butylmorpholine;(2S)-2-tert-butyloxane;(2R)-2-tert-butyloxane;(2R)-2-tert-butylpiperazine;(2S)-2-tert-butylpiperidine;(2R)-2-tert-butylpiperidine
CID 167694902
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
1-(azetidin-3-yl)-1-piperidin-2-ylethanol
CID 131162758
2-tert-butylpiperidine;sulfuric acid
CID 175316087
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentadecane
CID 164774831
2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
The IUPAC name of tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine (CID 164979916) is tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine.
What is the SMILES notation for tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
The canonical SMILES for tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine is CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCNC1.
What is the InChIKey of tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
The InChIKey is FIJDZADTQFAMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.C9H19N.2C8H17N.C8H16/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-5-4-6-7/h2*9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine?
tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine has a molecular weight of 788.48 g/mol, XLogP of 15.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine is sourced from PubChem (CID 164979916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).