1,1,3-triethylurea

C7H16N2O — CID 29376

IUPAC1,1,3-triethylurea
SMILESCCNC(=O)N(CC)CC
InChIInChI=1S/C7H16N2O/c1-4-8-7(10)9(5-2)6-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyHJKYLTYAGGYRAZ-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.06
Rot. Bonds3

About 1,1,3-triethylurea

1,1,3-triethylurea (PubChem CID 29376) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,1,3-triethylurea.

Molecular Properties

Compound Name1,1,3-triethylurea
PubChem CID29376
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1,1,3-triethylurea
SMILESCCNC(=O)N(CC)CC
InChIInChI=1S/C7H16N2O/c1-4-8-7(10)9(5-2)6-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyHJKYLTYAGGYRAZ-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-triethylurea?
The IUPAC name of 1,1,3-triethylurea (CID 29376) is 1,1,3-triethylurea.
What is the SMILES notation for 1,1,3-triethylurea?
The canonical SMILES for 1,1,3-triethylurea is CCNC(=O)N(CC)CC.
What is the InChIKey of 1,1,3-triethylurea?
The InChIKey is HJKYLTYAGGYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-8-7(10)9(5-2)6-3/h4-6H2,1-3H3,(H,8,10).
What are the key properties of 1,1,3-triethylurea?
1,1,3-triethylurea has a molecular weight of 144.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethylurea is sourced from PubChem (CID 29376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).