1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea

C13H26N2O — CID 56801156

IUPAC1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea
SMILESCCCC1CCCCC1NC(=O)N(C)CC
InChIInChI=1S/C13H26N2O/c1-4-8-11-9-6-7-10-12(11)14-13(16)15(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeySJBTVTHQOXDOMK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds4

About 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea

1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea (PubChem CID 56801156) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea
PubChem CID56801156
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea
SMILESCCCC1CCCCC1NC(=O)N(C)CC
InChIInChI=1S/C13H26N2O/c1-4-8-11-9-6-7-10-12(11)14-13(16)15(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeySJBTVTHQOXDOMK-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea (CID 56801156) is 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea is CCCC1CCCCC1NC(=O)N(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea?
The InChIKey is SJBTVTHQOXDOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-8-11-9-6-7-10-12(11)14-13(16)15(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea?
1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea has a molecular weight of 226.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2-propylcyclohexyl)urea is sourced from PubChem (CID 56801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).