(3E)-3-(1-aminopropylidene)-1,1-dimethylurea

C6H13N3O — CID 143410518

IUPAC(3E)-3-(1-aminopropylidene)-1,1-dimethylurea
SMILESCC/C(N)=N\C(=O)N(C)C
InChIInChI=1S/C6H13N3O/c1-4-5(7)8-6(10)9(2)3/h4H2,1-3H3,(H2,7,8,10)
InChIKeyKHHWXZSKVGORII-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.44
Rot. Bonds1

About (3E)-3-(1-aminopropylidene)-1,1-dimethylurea

(3E)-3-(1-aminopropylidene)-1,1-dimethylurea (PubChem CID 143410518) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (3E)-3-(1-aminopropylidene)-1,1-dimethylurea.

Molecular Properties

Compound Name(3E)-3-(1-aminopropylidene)-1,1-dimethylurea
PubChem CID143410518
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(3E)-3-(1-aminopropylidene)-1,1-dimethylurea
SMILESCC/C(N)=N\C(=O)N(C)C
InChIInChI=1S/C6H13N3O/c1-4-5(7)8-6(10)9(2)3/h4H2,1-3H3,(H2,7,8,10)
InChIKeyKHHWXZSKVGORII-UHFFFAOYSA-N
XLogP0.44
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3E)-3-(1-aminopropylidene)-1,1-dimethylurea?
The IUPAC name of (3E)-3-(1-aminopropylidene)-1,1-dimethylurea (CID 143410518) is (3E)-3-(1-aminopropylidene)-1,1-dimethylurea.
What is the SMILES notation for (3E)-3-(1-aminopropylidene)-1,1-dimethylurea?
The canonical SMILES for (3E)-3-(1-aminopropylidene)-1,1-dimethylurea is CC/C(N)=N\C(=O)N(C)C.
What is the InChIKey of (3E)-3-(1-aminopropylidene)-1,1-dimethylurea?
The InChIKey is KHHWXZSKVGORII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4-5(7)8-6(10)9(2)3/h4H2,1-3H3,(H2,7,8,10).
What are the key properties of (3E)-3-(1-aminopropylidene)-1,1-dimethylurea?
(3E)-3-(1-aminopropylidene)-1,1-dimethylurea has a molecular weight of 143.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-aminopropylidene)-1,1-dimethylurea is sourced from PubChem (CID 143410518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).