tert-butyl 3-tert-butylimidazolidine-1-carboxylate

C12H24N2O2 — CID 147368889

IUPACtert-butyl 3-tert-butylimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)14-8-7-13(9-14)10(15)16-12(4,5)6/h7-9H2,1-6H3
InChIKeyDISBPWYXPLIHES-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.30
Rot. Bonds

About tert-butyl 3-tert-butylimidazolidine-1-carboxylate

tert-butyl 3-tert-butylimidazolidine-1-carboxylate (PubChem CID 147368889) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 3-tert-butylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-tert-butylimidazolidine-1-carboxylate
PubChem CID147368889
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 3-tert-butylimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)14-8-7-13(9-14)10(15)16-12(4,5)6/h7-9H2,1-6H3
InChIKeyDISBPWYXPLIHES-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-tert-butylimidazolidine-1-carboxylate (CID 147368889) is tert-butyl 3-tert-butylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-tert-butylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-tert-butylimidazolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-tert-butylimidazolidine-1-carboxylate?
The InChIKey is DISBPWYXPLIHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)14-8-7-13(9-14)10(15)16-12(4,5)6/h7-9H2,1-6H3.
What are the key properties of tert-butyl 3-tert-butylimidazolidine-1-carboxylate?
tert-butyl 3-tert-butylimidazolidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-tert-butylimidazolidine-1-carboxylate is sourced from PubChem (CID 147368889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).