3-cycloheptyl-1,1-diethylurea

C12H24N2O — CID 2991669

IUPAC3-cycloheptyl-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)12(15)13-11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyMUUMFXJSXHYPMI-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.76
Rot. Bonds3

About 3-cycloheptyl-1,1-diethylurea

3-cycloheptyl-1,1-diethylurea (PubChem CID 2991669) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-cycloheptyl-1,1-diethylurea.

Molecular Properties

Compound Name3-cycloheptyl-1,1-diethylurea
PubChem CID2991669
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-cycloheptyl-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)12(15)13-11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyMUUMFXJSXHYPMI-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1,1-diethylurea?
The IUPAC name of 3-cycloheptyl-1,1-diethylurea (CID 2991669) is 3-cycloheptyl-1,1-diethylurea.
What is the SMILES notation for 3-cycloheptyl-1,1-diethylurea?
The canonical SMILES for 3-cycloheptyl-1,1-diethylurea is CCN(CC)C(=O)NC1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-1,1-diethylurea?
The InChIKey is MUUMFXJSXHYPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-14(4-2)12(15)13-11-9-7-5-6-8-10-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-cycloheptyl-1,1-diethylurea?
3-cycloheptyl-1,1-diethylurea has a molecular weight of 212.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1,1-diethylurea is sourced from PubChem (CID 2991669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).