1-cyclohexyl-3-(4-methylpentan-2-yl)urea

C13H26N2O — CID 4123670

IUPAC1-cyclohexyl-3-(4-methylpentan-2-yl)urea
SMILESCC(C)CC(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)9-11(3)14-13(16)15-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyMULWXDIQMVYTFG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclohexyl-3-(4-methylpentan-2-yl)urea

1-cyclohexyl-3-(4-methylpentan-2-yl)urea (PubChem CID 4123670) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylpentan-2-yl)urea
PubChem CID4123670
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclohexyl-3-(4-methylpentan-2-yl)urea
SMILESCC(C)CC(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)9-11(3)14-13(16)15-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyMULWXDIQMVYTFG-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylpentan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-methylpentan-2-yl)urea (CID 4123670) is 1-cyclohexyl-3-(4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylpentan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylpentan-2-yl)urea is CC(C)CC(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylpentan-2-yl)urea?
The InChIKey is MULWXDIQMVYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)9-11(3)14-13(16)15-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-(4-methylpentan-2-yl)urea?
1-cyclohexyl-3-(4-methylpentan-2-yl)urea has a molecular weight of 226.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylpentan-2-yl)urea is sourced from PubChem (CID 4123670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).