2-(dibutylamino)ethylurea

C11H25N3O — CID 22072909

IUPAC2-(dibutylamino)ethylurea
SMILESCCCCN(CCCC)CCNC(N)=O
InChIInChI=1S/C11H25N3O/c1-3-5-8-14(9-6-4-2)10-7-13-11(12)15/h3-10H2,1-2H3,(H3,12,13,15)
InChIKeyNGUYHXMAXQVLDY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.56
Rot. Bonds9

About 2-(dibutylamino)ethylurea

2-(dibutylamino)ethylurea (PubChem CID 22072909) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(dibutylamino)ethylurea.

Molecular Properties

Compound Name2-(dibutylamino)ethylurea
PubChem CID22072909
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(dibutylamino)ethylurea
SMILESCCCCN(CCCC)CCNC(N)=O
InChIInChI=1S/C11H25N3O/c1-3-5-8-14(9-6-4-2)10-7-13-11(12)15/h3-10H2,1-2H3,(H3,12,13,15)
InChIKeyNGUYHXMAXQVLDY-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethylurea?
The IUPAC name of 2-(dibutylamino)ethylurea (CID 22072909) is 2-(dibutylamino)ethylurea.
What is the SMILES notation for 2-(dibutylamino)ethylurea?
The canonical SMILES for 2-(dibutylamino)ethylurea is CCCCN(CCCC)CCNC(N)=O.
What is the InChIKey of 2-(dibutylamino)ethylurea?
The InChIKey is NGUYHXMAXQVLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-5-8-14(9-6-4-2)10-7-13-11(12)15/h3-10H2,1-2H3,(H3,12,13,15).
What are the key properties of 2-(dibutylamino)ethylurea?
2-(dibutylamino)ethylurea has a molecular weight of 215.34 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethylurea is sourced from PubChem (CID 22072909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).