1,1,3-trimethyl-3-(methylideneamino)urea

C5H11N3O — CID 91400900

IUPAC1,1,3-trimethyl-3-(methylideneamino)urea
SMILESC=NN(C)C(=O)N(C)C
InChIInChI=1S/C5H11N3O/c1-6-8(4)5(9)7(2)3/h1H2,2-4H3
InChIKeyKADYKFOTICTJEN-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.22
Rot. Bonds1

About 1,1,3-trimethyl-3-(methylideneamino)urea

1,1,3-trimethyl-3-(methylideneamino)urea (PubChem CID 91400900) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(methylideneamino)urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(methylideneamino)urea
PubChem CID91400900
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name1,1,3-trimethyl-3-(methylideneamino)urea
SMILESC=NN(C)C(=O)N(C)C
InChIInChI=1S/C5H11N3O/c1-6-8(4)5(9)7(2)3/h1H2,2-4H3
InChIKeyKADYKFOTICTJEN-UHFFFAOYSA-N
XLogP0.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(methylideneamino)urea?
The IUPAC name of 1,1,3-trimethyl-3-(methylideneamino)urea (CID 91400900) is 1,1,3-trimethyl-3-(methylideneamino)urea.
What is the SMILES notation for 1,1,3-trimethyl-3-(methylideneamino)urea?
The canonical SMILES for 1,1,3-trimethyl-3-(methylideneamino)urea is C=NN(C)C(=O)N(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-(methylideneamino)urea?
The InChIKey is KADYKFOTICTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-6-8(4)5(9)7(2)3/h1H2,2-4H3.
What are the key properties of 1,1,3-trimethyl-3-(methylideneamino)urea?
1,1,3-trimethyl-3-(methylideneamino)urea has a molecular weight of 129.16 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(methylideneamino)urea is sourced from PubChem (CID 91400900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).