3-(2,4-dimethylcyclohexyl)-1,1-diethylurea

C13H26N2O — CID 115625378

IUPAC3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyHGYJETOBBHEUJE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.86
Rot. Bonds3

About 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea

3-(2,4-dimethylcyclohexyl)-1,1-diethylurea (PubChem CID 115625378) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
PubChem CID115625378
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyHGYJETOBBHEUJE-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea?
The IUPAC name of 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea (CID 115625378) is 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea?
The canonical SMILES for 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea is CCN(CC)C(=O)NC1CCC(C)CC1C.
What is the InChIKey of 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea?
The InChIKey is HGYJETOBBHEUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)9-11(12)4/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea?
3-(2,4-dimethylcyclohexyl)-1,1-diethylurea has a molecular weight of 226.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylcyclohexyl)-1,1-diethylurea is sourced from PubChem (CID 115625378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).