1-(dimethylamino)ethylurea

C5H13N3O — CID 169101887

IUPAC1-(dimethylamino)ethylurea
SMILESCC(NC(N)=O)N(C)C
InChIInChI=1S/C5H13N3O/c1-4(8(2)3)7-5(6)9/h4H,1-3H3,(H3,6,7,9)
InChIKeyMXMICABJHGQARB-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.44
Rot. Bonds2

About 1-(dimethylamino)ethylurea

1-(dimethylamino)ethylurea (PubChem CID 169101887) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(dimethylamino)ethylurea.

Molecular Properties

Compound Name1-(dimethylamino)ethylurea
PubChem CID169101887
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(dimethylamino)ethylurea
SMILESCC(NC(N)=O)N(C)C
InChIInChI=1S/C5H13N3O/c1-4(8(2)3)7-5(6)9/h4H,1-3H3,(H3,6,7,9)
InChIKeyMXMICABJHGQARB-UHFFFAOYSA-N
XLogP-0.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethylurea?
The IUPAC name of 1-(dimethylamino)ethylurea (CID 169101887) is 1-(dimethylamino)ethylurea.
What is the SMILES notation for 1-(dimethylamino)ethylurea?
The canonical SMILES for 1-(dimethylamino)ethylurea is CC(NC(N)=O)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethylurea?
The InChIKey is MXMICABJHGQARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(8(2)3)7-5(6)9/h4H,1-3H3,(H3,6,7,9).
What are the key properties of 1-(dimethylamino)ethylurea?
1-(dimethylamino)ethylurea has a molecular weight of 131.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethylurea is sourced from PubChem (CID 169101887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).