3-(2-cyclobutylethyl)-1,1-dimethylurea

C9H18N2O — CID 115687259

IUPAC3-(2-cyclobutylethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCC1CCC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)10-7-6-8-4-3-5-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyNKYWQJIKJGRIRF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-cyclobutylethyl)-1,1-dimethylurea

3-(2-cyclobutylethyl)-1,1-dimethylurea (PubChem CID 115687259) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(2-cyclobutylethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-cyclobutylethyl)-1,1-dimethylurea
PubChem CID115687259
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(2-cyclobutylethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCC1CCC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)10-7-6-8-4-3-5-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyNKYWQJIKJGRIRF-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-[2-(2-cyclohexylethylamino)ethyl]-1,1-dimethylurea
CID 83116550
3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
CID 83116093
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
N-(2-cyclobutylethyl)-2,2-difluoroacetamide
CID 103516050
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
N-[2-(dimethylcarbamoylamino)ethyl]-3-piperidin-4-ylpropanamide
CID 83109441
3-(2-cyclohexylethyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108888590
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-cyclobutylethyl)-1,1-dimethylurea (CID 115687259) is 3-(2-cyclobutylethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-cyclobutylethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-cyclobutylethyl)-1,1-dimethylurea is CN(C)C(=O)NCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethyl)-1,1-dimethylurea?
The InChIKey is NKYWQJIKJGRIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)9(12)10-7-6-8-4-3-5-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-(2-cyclobutylethyl)-1,1-dimethylurea?
3-(2-cyclobutylethyl)-1,1-dimethylurea has a molecular weight of 170.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethyl)-1,1-dimethylurea is sourced from PubChem (CID 115687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).