(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane

C7H17N3O — CID 143112959

IUPAC(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane
SMILESC/C(N)=N\C(=O)N(C)C.CC
InChIInChI=1S/C5H11N3O.C2H6/c1-4(6)7-5(9)8(2)3;1-2/h1-3H3,(H2,6,7,9);1-2H3
InChIKeyGUXFJWGUIIUGCL-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds

About (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane

(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane (PubChem CID 143112959) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane.

Molecular Properties

Compound Name(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane
PubChem CID143112959
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane
SMILESC/C(N)=N\C(=O)N(C)C.CC
InChIInChI=1S/C5H11N3O.C2H6/c1-4(6)7-5(9)8(2)3;1-2/h1-3H3,(H2,6,7,9);1-2H3
InChIKeyGUXFJWGUIIUGCL-UHFFFAOYSA-N
XLogP1.07
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
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-aminoethylidene)-1,1-dimethylurea;ethane?
The IUPAC name of (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane (CID 143112959) is (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane.
What is the SMILES notation for (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane?
The canonical SMILES for (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane is C/C(N)=N\C(=O)N(C)C.CC.
What is the InChIKey of (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane?
The InChIKey is GUXFJWGUIIUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C2H6/c1-4(6)7-5(9)8(2)3;1-2/h1-3H3,(H2,6,7,9);1-2H3.
What are the key properties of (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane?
(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane has a molecular weight of 159.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane is sourced from PubChem (CID 143112959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).