1,3-diethyl-1-methylurea;molecular hydrogen

C6H16N2O — CID 142235492

IUPAC1,3-diethyl-1-methylurea;molecular hydrogen
SMILESCCNC(=O)N(C)CC.[H][H]
InChIInChI=1S/C6H14N2O.H2/c1-4-7-6(9)8(3)5-2;/h4-5H2,1-3H3,(H,7,9);1H
InChIKeyVSMUIQFIZYXCPU-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.91
Rot. Bonds2

About 1,3-diethyl-1-methylurea;molecular hydrogen

1,3-diethyl-1-methylurea;molecular hydrogen (PubChem CID 142235492) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,3-diethyl-1-methylurea;molecular hydrogen.

Molecular Properties

Compound Name1,3-diethyl-1-methylurea;molecular hydrogen
PubChem CID142235492
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1,3-diethyl-1-methylurea;molecular hydrogen
SMILESCCNC(=O)N(C)CC.[H][H]
InChIInChI=1S/C6H14N2O.H2/c1-4-7-6(9)8(3)5-2;/h4-5H2,1-3H3,(H,7,9);1H
InChIKeyVSMUIQFIZYXCPU-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylurea
CID 12254
Propylurea
CID 12303
N,N'-Bis(1-methylethyl)urea
CID 20084
sym-Diethylurea
CID 12194
Dibutylurea
CID 74523
1-(3-(Dimethylamino)propyl)urea
CID 3084542
1,3-Bis[3-(dimethylamino)propyl]urea
CID 104163
Urea, 1,1,3-triethyl-
CID 29376
Urea, 1-butyl-3-ethyl-
CID 95670
N-Butyl-N'-methylurea
CID 96349
Urea, 1-methyl-3-propyl-
CID 217014
Urea, 1,1-dibutyl-3-ethyl-
CID 3040358

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-methylurea;molecular hydrogen?
The IUPAC name of 1,3-diethyl-1-methylurea;molecular hydrogen (CID 142235492) is 1,3-diethyl-1-methylurea;molecular hydrogen.
What is the SMILES notation for 1,3-diethyl-1-methylurea;molecular hydrogen?
The canonical SMILES for 1,3-diethyl-1-methylurea;molecular hydrogen is CCNC(=O)N(C)CC.[H][H].
What is the InChIKey of 1,3-diethyl-1-methylurea;molecular hydrogen?
The InChIKey is VSMUIQFIZYXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.H2/c1-4-7-6(9)8(3)5-2;/h4-5H2,1-3H3,(H,7,9);1H.
What are the key properties of 1,3-diethyl-1-methylurea;molecular hydrogen?
1,3-diethyl-1-methylurea;molecular hydrogen has a molecular weight of 132.21 g/mol, XLogP of 0.91, 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;molecular hydrogen is sourced from PubChem (CID 142235492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).