1,3-diethyl-1-methylurea

C6H14N2O — CID 22263783

IUPAC1,3-diethyl-1-methylurea
SMILESCCNC(=O)N(C)CC
InChIInChI=1S/C6H14N2O/c1-4-7-6(9)8(3)5-2/h4-5H2,1-3H3,(H,7,9)
InChIKeyZZROOEOLWHVOHQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.67
Rot. Bonds2

About 1,3-diethyl-1-methylurea

1,3-diethyl-1-methylurea (PubChem CID 22263783) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,3-diethyl-1-methylurea.

Molecular Properties

Compound Name1,3-diethyl-1-methylurea
PubChem CID22263783
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,3-diethyl-1-methylurea
SMILESCCNC(=O)N(C)CC
InChIInChI=1S/C6H14N2O/c1-4-7-6(9)8(3)5-2/h4-5H2,1-3H3,(H,7,9)
InChIKeyZZROOEOLWHVOHQ-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-methylurea?
The IUPAC name of 1,3-diethyl-1-methylurea (CID 22263783) is 1,3-diethyl-1-methylurea.
What is the SMILES notation for 1,3-diethyl-1-methylurea?
The canonical SMILES for 1,3-diethyl-1-methylurea is CCNC(=O)N(C)CC.
What is the InChIKey of 1,3-diethyl-1-methylurea?
The InChIKey is ZZROOEOLWHVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4-7-6(9)8(3)5-2/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 1,3-diethyl-1-methylurea?
1,3-diethyl-1-methylurea has a molecular weight of 130.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-methylurea is sourced from PubChem (CID 22263783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).