1-cyclohexyl-3-ethylurea

C9H18N2O — CID 5151398

IUPAC1-cyclohexyl-3-ethylurea
SMILESCCNC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyBBUVNFZPAAVCSX-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.64
Rot. Bonds2

About 1-cyclohexyl-3-ethylurea

1-cyclohexyl-3-ethylurea (PubChem CID 5151398) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylurea
PubChem CID5151398
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-cyclohexyl-3-ethylurea
SMILESCCNC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyBBUVNFZPAAVCSX-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethylurea?
The IUPAC name of 1-cyclohexyl-3-ethylurea (CID 5151398) is 1-cyclohexyl-3-ethylurea.
What is the SMILES notation for 1-cyclohexyl-3-ethylurea?
The canonical SMILES for 1-cyclohexyl-3-ethylurea is CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethylurea?
The InChIKey is BBUVNFZPAAVCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclohexyl-3-ethylurea?
1-cyclohexyl-3-ethylurea has a molecular weight of 170.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylurea is sourced from PubChem (CID 5151398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).