1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea

C13H21N3O — CID 54949010

IUPAC1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea
SMILESN#CCCN(C(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H21N3O/c14-9-4-10-16(12-7-8-12)13(17)15-11-5-2-1-3-6-11/h11-12H,1-8,10H2,(H,15,17)
InChIKeyAHHGLTLSNNTSLI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea

1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea (PubChem CID 54949010) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea
PubChem CID54949010
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea
SMILESN#CCCN(C(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H21N3O/c14-9-4-10-16(12-7-8-12)13(17)15-11-5-2-1-3-6-11/h11-12H,1-8,10H2,(H,15,17)
InChIKeyAHHGLTLSNNTSLI-UHFFFAOYSA-N
XLogP2.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea?
The IUPAC name of 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea (CID 54949010) is 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea is N#CCCN(C(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea?
The InChIKey is AHHGLTLSNNTSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-9-4-10-16(12-7-8-12)13(17)15-11-5-2-1-3-6-11/h11-12H,1-8,10H2,(H,15,17).
What are the key properties of 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea?
1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea has a molecular weight of 235.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-cyclohexyl-1-cyclopropylurea is sourced from PubChem (CID 54949010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).