tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane

C16H36N2O2 — CID 160607710

IUPACtert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)N1CCCN1C(C)(C)C
InChIInChI=1S/C12H24N2O2.2C2H6/c1-11(2,3)14-9-7-8-13(14)10(15)16-12(4,5)6;2*1-2/h7-9H2,1-6H3;2*1-2H3
InChIKeyRFCFOKXURJCYDT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.70
Rot. Bonds

About tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane

tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane (PubChem CID 160607710) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane
PubChem CID160607710
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Nametert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)N1CCCN1C(C)(C)C
InChIInChI=1S/C12H24N2O2.2C2H6/c1-11(2,3)14-9-7-8-13(14)10(15)16-12(4,5)6;2*1-2/h7-9H2,1-6H3;2*1-2H3
InChIKeyRFCFOKXURJCYDT-UHFFFAOYSA-N
XLogP4.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11771344
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azane;tert-butyl piperidine-1-carboxylate
CID 134583959
ditert-butyl (3S)-3-formyldiazinane-1,2-dicarboxylate
CID 168880403
tert-butyl 4-alumanyl-1,4-diazepane-1-carboxylate
CID 154554278
ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate
CID 143288061
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
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CID 143412058

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane (CID 160607710) is tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane is CC.CC.CC(C)(C)OC(=O)N1CCCN1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane?
The InChIKey is RFCFOKXURJCYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.2C2H6/c1-11(2,3)14-9-7-8-13(14)10(15)16-12(4,5)6;2*1-2/h7-9H2,1-6H3;2*1-2H3.
What are the key properties of tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane?
tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane has a molecular weight of 288.48 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butylpyrazolidine-1-carboxylate;ethane is sourced from PubChem (CID 160607710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).