1-tert-butyl-1,3-dimethylurea

C7H16N2O — CID 19354674

IUPAC1-tert-butyl-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)(C)C
InChIInChI=1S/C7H16N2O/c1-7(2,3)9(5)6(10)8-4/h1-5H3,(H,8,10)
InChIKeyWUDWWHZVFYINHE-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.06
Rot. Bonds

About 1-tert-butyl-1,3-dimethylurea

1-tert-butyl-1,3-dimethylurea (PubChem CID 19354674) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-tert-butyl-1,3-dimethylurea.

Molecular Properties

Compound Name1-tert-butyl-1,3-dimethylurea
PubChem CID19354674
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-tert-butyl-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)(C)C
InChIInChI=1S/C7H16N2O/c1-7(2,3)9(5)6(10)8-4/h1-5H3,(H,8,10)
InChIKeyWUDWWHZVFYINHE-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,3-dimethylurea?
The IUPAC name of 1-tert-butyl-1,3-dimethylurea (CID 19354674) is 1-tert-butyl-1,3-dimethylurea.
What is the SMILES notation for 1-tert-butyl-1,3-dimethylurea?
The canonical SMILES for 1-tert-butyl-1,3-dimethylurea is CNC(=O)N(C)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1,3-dimethylurea?
The InChIKey is WUDWWHZVFYINHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2,3)9(5)6(10)8-4/h1-5H3,(H,8,10).
What are the key properties of 1-tert-butyl-1,3-dimethylurea?
1-tert-butyl-1,3-dimethylurea has a molecular weight of 144.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,3-dimethylurea is sourced from PubChem (CID 19354674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).