1-tert-butyl-4,4-dimethylimidazolidin-2-ol

C9H20N2O — CID 167004933

IUPAC1-tert-butyl-4,4-dimethylimidazolidin-2-ol
SMILESCC1(C)CN(C(C)(C)C)C(O)N1
InChIInChI=1S/C9H20N2O/c1-8(2,3)11-6-9(4,5)10-7(11)12/h7,10,12H,6H2,1-5H3
InChIKeySSEWIIVMDNPIRH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.74
Rot. Bonds

About 1-tert-butyl-4,4-dimethylimidazolidin-2-ol

1-tert-butyl-4,4-dimethylimidazolidin-2-ol (PubChem CID 167004933) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-tert-butyl-4,4-dimethylimidazolidin-2-ol.

Molecular Properties

Compound Name1-tert-butyl-4,4-dimethylimidazolidin-2-ol
PubChem CID167004933
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-tert-butyl-4,4-dimethylimidazolidin-2-ol
SMILESCC1(C)CN(C(C)(C)C)C(O)N1
InChIInChI=1S/C9H20N2O/c1-8(2,3)11-6-9(4,5)10-7(11)12/h7,10,12H,6H2,1-5H3
InChIKeySSEWIIVMDNPIRH-UHFFFAOYSA-N
XLogP0.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-dimethylimidazolidin-2-ol?
The IUPAC name of 1-tert-butyl-4,4-dimethylimidazolidin-2-ol (CID 167004933) is 1-tert-butyl-4,4-dimethylimidazolidin-2-ol.
What is the SMILES notation for 1-tert-butyl-4,4-dimethylimidazolidin-2-ol?
The canonical SMILES for 1-tert-butyl-4,4-dimethylimidazolidin-2-ol is CC1(C)CN(C(C)(C)C)C(O)N1.
What is the InChIKey of 1-tert-butyl-4,4-dimethylimidazolidin-2-ol?
The InChIKey is SSEWIIVMDNPIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2,3)11-6-9(4,5)10-7(11)12/h7,10,12H,6H2,1-5H3.
What are the key properties of 1-tert-butyl-4,4-dimethylimidazolidin-2-ol?
1-tert-butyl-4,4-dimethylimidazolidin-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-dimethylimidazolidin-2-ol is sourced from PubChem (CID 167004933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).