1,1-diethylurea;methanol

C6H16N2O2 — CID 88508313

IUPAC1,1-diethylurea;methanol
SMILESCCN(CC)C(N)=O.CO
InChIInChI=1S/C5H12N2O.CH4O/c1-3-7(4-2)5(6)8;1-2/h3-4H2,1-2H3,(H2,6,8);2H,1H3
InChIKeyXXTWQFFSPIEUEP-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.02
Rot. Bonds2

About 1,1-diethylurea;methanol

1,1-diethylurea;methanol (PubChem CID 88508313) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,1-diethylurea;methanol.

Molecular Properties

Compound Name1,1-diethylurea;methanol
PubChem CID88508313
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name1,1-diethylurea;methanol
SMILESCCN(CC)C(N)=O.CO
InChIInChI=1S/C5H12N2O.CH4O/c1-3-7(4-2)5(6)8;1-2/h3-4H2,1-2H3,(H2,6,8);2H,1H3
InChIKeyXXTWQFFSPIEUEP-UHFFFAOYSA-N
XLogP0.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;1,1-diethylurea;hydride
CID 173115035
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carbamic acid;carbamothioic S-acid;diethylcarbamothioic S-acid
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carbamothioic S-acid;diethylcarbamothioic S-acid;ethane;trihydrochloride
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1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
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CID 21059295
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(Z)-N',N',2,3-tetraethylbut-2-enediamide
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Frequently Asked Questions

What is the IUPAC name of 1,1-diethylurea;methanol?
The IUPAC name of 1,1-diethylurea;methanol (CID 88508313) is 1,1-diethylurea;methanol.
What is the SMILES notation for 1,1-diethylurea;methanol?
The canonical SMILES for 1,1-diethylurea;methanol is CCN(CC)C(N)=O.CO.
What is the InChIKey of 1,1-diethylurea;methanol?
The InChIKey is XXTWQFFSPIEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.CH4O/c1-3-7(4-2)5(6)8;1-2/h3-4H2,1-2H3,(H2,6,8);2H,1H3.
What are the key properties of 1,1-diethylurea;methanol?
1,1-diethylurea;methanol has a molecular weight of 148.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylurea;methanol is sourced from PubChem (CID 88508313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).