1-tert-butyl-3-cyclobutylurea

C9H18N2O — CID 17217146

IUPAC1-tert-butyl-3-cyclobutylurea
SMILESCC(C)(C)NC(=O)NC1CCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-8(12)10-7-5-4-6-7/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyQKACPHAZNVBLGL-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.64
Rot. Bonds1

About 1-tert-butyl-3-cyclobutylurea

1-tert-butyl-3-cyclobutylurea (PubChem CID 17217146) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclobutylurea.

Molecular Properties

Compound Name1-tert-butyl-3-cyclobutylurea
PubChem CID17217146
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-tert-butyl-3-cyclobutylurea
SMILESCC(C)(C)NC(=O)NC1CCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-8(12)10-7-5-4-6-7/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyQKACPHAZNVBLGL-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclobutylurea?
The IUPAC name of 1-tert-butyl-3-cyclobutylurea (CID 17217146) is 1-tert-butyl-3-cyclobutylurea.
What is the SMILES notation for 1-tert-butyl-3-cyclobutylurea?
The canonical SMILES for 1-tert-butyl-3-cyclobutylurea is CC(C)(C)NC(=O)NC1CCC1.
What is the InChIKey of 1-tert-butyl-3-cyclobutylurea?
The InChIKey is QKACPHAZNVBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)11-8(12)10-7-5-4-6-7/h7H,4-6H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-tert-butyl-3-cyclobutylurea?
1-tert-butyl-3-cyclobutylurea has a molecular weight of 170.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclobutylurea is sourced from PubChem (CID 17217146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).