3-cyclooctyl-1,1-dimethylurea

C11H22N2O — CID 16554

IUPAC3-cyclooctyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyDQZCVNGCTZLGAQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.37
Rot. Bonds1

About 3-cyclooctyl-1,1-dimethylurea

3-cyclooctyl-1,1-dimethylurea (PubChem CID 16554) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cyclooctyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-cyclooctyl-1,1-dimethylurea
PubChem CID16554
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-cyclooctyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyDQZCVNGCTZLGAQ-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-3-decyl-urea
CID 4359
1-Cyclohexyl-3-methylurea
CID 308344
Urea, N-dodecyl-
CID 75091
N-cyclohexyl-N'-cyclooctylurea
CID 840783
1-Cyclohexyl-3-dodecylurea
CID 4437430
N-Octylurea
CID 200490
Cyclooctylurea
CID 294524
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Cyclohexyl-3-tetradecyl-urea
CID 10936690
1-Cyclohexyl-3-isopropylurea
CID 280348

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-1,1-dimethylurea?
The IUPAC name of 3-cyclooctyl-1,1-dimethylurea (CID 16554) is 3-cyclooctyl-1,1-dimethylurea.
What is the SMILES notation for 3-cyclooctyl-1,1-dimethylurea?
The canonical SMILES for 3-cyclooctyl-1,1-dimethylurea is CN(C)C(=O)NC1CCCCCCC1.
What is the InChIKey of 3-cyclooctyl-1,1-dimethylurea?
The InChIKey is DQZCVNGCTZLGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 3-cyclooctyl-1,1-dimethylurea?
3-cyclooctyl-1,1-dimethylurea has a molecular weight of 198.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-1,1-dimethylurea is sourced from PubChem (CID 16554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).