1-(2-cyclohexylethyl)-1,3,3-trimethylurea

C12H24N2O — CID 162403146

IUPAC1-(2-cyclohexylethyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)CCC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-13(2)12(15)14(3)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyVWCGLSYPGDEYBL-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.57
Rot. Bonds3

About 1-(2-cyclohexylethyl)-1,3,3-trimethylurea

1-(2-cyclohexylethyl)-1,3,3-trimethylurea (PubChem CID 162403146) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1,3,3-trimethylurea
PubChem CID162403146
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-cyclohexylethyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)CCC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-13(2)12(15)14(3)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyVWCGLSYPGDEYBL-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2-cyclohexylethyl)-1,3,3-trimethylurea (CID 162403146) is 1-(2-cyclohexylethyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1,3,3-trimethylurea is CN(C)C(=O)N(C)CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1,3,3-trimethylurea?
The InChIKey is VWCGLSYPGDEYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)12(15)14(3)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 1-(2-cyclohexylethyl)-1,3,3-trimethylurea?
1-(2-cyclohexylethyl)-1,3,3-trimethylurea has a molecular weight of 212.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1,3,3-trimethylurea is sourced from PubChem (CID 162403146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).