3-(1-cyclobutylethyl)-1,1-dimethylurea

C9H18N2O — CID 115766548

IUPAC3-(1-cyclobutylethyl)-1,1-dimethylurea
SMILESCC(NC(=O)N(C)C)C1CCC1
InChIInChI=1S/C9H18N2O/c1-7(8-5-4-6-8)10-9(12)11(2)3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyHVJSJYWQOVQYQP-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.45
Rot. Bonds2

About 3-(1-cyclobutylethyl)-1,1-dimethylurea

3-(1-cyclobutylethyl)-1,1-dimethylurea (PubChem CID 115766548) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(1-cyclobutylethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-cyclobutylethyl)-1,1-dimethylurea
PubChem CID115766548
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(1-cyclobutylethyl)-1,1-dimethylurea
SMILESCC(NC(=O)N(C)C)C1CCC1
InChIInChI=1S/C9H18N2O/c1-7(8-5-4-6-8)10-9(12)11(2)3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyHVJSJYWQOVQYQP-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclobutylethyl)acetamide
CID 115769098
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
2-(1-cyclobutylethylamino)-2-oxoacetic acid
CID 104768741
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62406177
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
N-(1-cyclobutylethyl)-2-propan-2-yloxyacetamide
CID 115769012
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
(1S,6R)-6-(1-cyclobutylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962744

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylethyl)-1,1-dimethylurea?
The IUPAC name of 3-(1-cyclobutylethyl)-1,1-dimethylurea (CID 115766548) is 3-(1-cyclobutylethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-cyclobutylethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-cyclobutylethyl)-1,1-dimethylurea is CC(NC(=O)N(C)C)C1CCC1.
What is the InChIKey of 3-(1-cyclobutylethyl)-1,1-dimethylurea?
The InChIKey is HVJSJYWQOVQYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(8-5-4-6-8)10-9(12)11(2)3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 3-(1-cyclobutylethyl)-1,1-dimethylurea?
3-(1-cyclobutylethyl)-1,1-dimethylurea has a molecular weight of 170.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylethyl)-1,1-dimethylurea is sourced from PubChem (CID 115766548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).