1,3-diethylurea

C5H12N2O — CID 12194

IUPAC1,3-diethylurea
SMILESCCNC(=O)NCC
InChIInChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyZWAVGZYKJNOTPX-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.33
Rot. Bonds2

About 1,3-diethylurea

1,3-diethylurea (PubChem CID 12194) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1,3-diethylurea.

Molecular Properties

Compound Name1,3-diethylurea
PubChem CID12194
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1,3-diethylurea
SMILESCCNC(=O)NCC
InChIInChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyZWAVGZYKJNOTPX-UHFFFAOYSA-N
XLogP0.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylurea
CID 12254
sec-Butylurea
CID 12715
Isopropylurea
CID 12725
Butylurea
CID 11595
Propylurea
CID 12303
N,N'-Bis(1-methylethyl)urea
CID 20084
Dibutylurea
CID 74523
Isobutylurea
CID 79051
1-(3-(Dimethylamino)propyl)urea
CID 3084542
N-Carbamoylputrescine
CID 502
Urea, 1,1,3-triethyl-
CID 29376
Urea, 1-butyl-3-ethyl-
CID 95670

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylurea?
The IUPAC name of 1,3-diethylurea (CID 12194) is 1,3-diethylurea.
What is the SMILES notation for 1,3-diethylurea?
The canonical SMILES for 1,3-diethylurea is CCNC(=O)NCC.
What is the InChIKey of 1,3-diethylurea?
The InChIKey is ZWAVGZYKJNOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1,3-diethylurea?
1,3-diethylurea has a molecular weight of 116.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylurea is sourced from PubChem (CID 12194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).