3-(2-amino-2-iminoethyl)-1,1-dimethylurea

C5H12N4O — CID 79153880

IUPAC3-(2-amino-2-iminoethyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)CNC(=O)N(C)C
InChIInChI=1S/C5H12N4O/c1-9(2)5(10)8-3-4(6)7/h3H2,1-2H3,(H3,6,7)(H,8,10)
InChIKeyOJKCWTRCJDQXSV-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.81
Rot. Bonds2

About 3-(2-amino-2-iminoethyl)-1,1-dimethylurea

3-(2-amino-2-iminoethyl)-1,1-dimethylurea (PubChem CID 79153880) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 3-(2-amino-2-iminoethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-amino-2-iminoethyl)-1,1-dimethylurea
PubChem CID79153880
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name3-(2-amino-2-iminoethyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)CNC(=O)N(C)C
InChIInChI=1S/C5H12N4O/c1-9(2)5(10)8-3-4(6)7/h3H2,1-2H3,(H3,6,7)(H,8,10)
InChIKeyOJKCWTRCJDQXSV-UHFFFAOYSA-N
XLogP-0.81
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-iminoethyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-amino-2-iminoethyl)-1,1-dimethylurea (CID 79153880) is 3-(2-amino-2-iminoethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-amino-2-iminoethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-amino-2-iminoethyl)-1,1-dimethylurea is [H]/N=C(\N)CNC(=O)N(C)C.
What is the InChIKey of 3-(2-amino-2-iminoethyl)-1,1-dimethylurea?
The InChIKey is OJKCWTRCJDQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-9(2)5(10)8-3-4(6)7/h3H2,1-2H3,(H3,6,7)(H,8,10).
What are the key properties of 3-(2-amino-2-iminoethyl)-1,1-dimethylurea?
3-(2-amino-2-iminoethyl)-1,1-dimethylurea has a molecular weight of 144.18 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-iminoethyl)-1,1-dimethylurea is sourced from PubChem (CID 79153880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).