3-ethyl-1,1-dimethylurea;molecular hydrogen

C5H14N2O — CID 144978346

IUPAC3-ethyl-1,1-dimethylurea;molecular hydrogen
SMILESCCNC(=O)N(C)C.[H][H]
InChIInChI=1S/C5H12N2O.H2/c1-4-6-5(8)7(2)3;/h4H2,1-3H3,(H,6,8);1H
InChIKeyDRRXIPFNHLXHSJ-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.52
Rot. Bonds1

About 3-ethyl-1,1-dimethylurea;molecular hydrogen

3-ethyl-1,1-dimethylurea;molecular hydrogen (PubChem CID 144978346) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethylurea;molecular hydrogen.

Molecular Properties

Compound Name3-ethyl-1,1-dimethylurea;molecular hydrogen
PubChem CID144978346
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name3-ethyl-1,1-dimethylurea;molecular hydrogen
SMILESCCNC(=O)N(C)C.[H][H]
InChIInChI=1S/C5H12N2O.H2/c1-4-6-5(8)7(2)3;/h4H2,1-3H3,(H,6,8);1H
InChIKeyDRRXIPFNHLXHSJ-UHFFFAOYSA-N
XLogP0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
ethylcarbamic acid;molecular hydrogen
CID 142924584
3-(2-ethylbutyl)-1,1-dimethylurea
CID 84513331
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
bis(ethylcarbamoyl)carbamic acid
CID 175128222
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dimethylurea;molecular hydrogen?
The IUPAC name of 3-ethyl-1,1-dimethylurea;molecular hydrogen (CID 144978346) is 3-ethyl-1,1-dimethylurea;molecular hydrogen.
What is the SMILES notation for 3-ethyl-1,1-dimethylurea;molecular hydrogen?
The canonical SMILES for 3-ethyl-1,1-dimethylurea;molecular hydrogen is CCNC(=O)N(C)C.[H][H].
What is the InChIKey of 3-ethyl-1,1-dimethylurea;molecular hydrogen?
The InChIKey is DRRXIPFNHLXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.H2/c1-4-6-5(8)7(2)3;/h4H2,1-3H3,(H,6,8);1H.
What are the key properties of 3-ethyl-1,1-dimethylurea;molecular hydrogen?
3-ethyl-1,1-dimethylurea;molecular hydrogen has a molecular weight of 118.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethylurea;molecular hydrogen is sourced from PubChem (CID 144978346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).