1-ethyl-3-[1-(methylideneamino)ethylidene]urea

C6H11N3O — CID 91113919

IUPAC1-ethyl-3-[1-(methylideneamino)ethylidene]urea
SMILESC=NC(C)=NC(=O)NCC
InChIInChI=1S/C6H11N3O/c1-4-8-6(10)9-5(2)7-3/h3-4H2,1-2H3,(H,8,10)
InChIKeyBVDGHNOVVQEIHS-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.83
Rot. Bonds1

About 1-ethyl-3-[1-(methylideneamino)ethylidene]urea

1-ethyl-3-[1-(methylideneamino)ethylidene]urea (PubChem CID 91113919) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-ethyl-3-[1-(methylideneamino)ethylidene]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(methylideneamino)ethylidene]urea
PubChem CID91113919
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-ethyl-3-[1-(methylideneamino)ethylidene]urea
SMILESC=NC(C)=NC(=O)NCC
InChIInChI=1S/C6H11N3O/c1-4-8-6(10)9-5(2)7-3/h3-4H2,1-2H3,(H,8,10)
InChIKeyBVDGHNOVVQEIHS-UHFFFAOYSA-N
XLogP0.83
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.83
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 1-ethyl-3-[1-(methylideneamino)ethylidene]urea?
The IUPAC name of 1-ethyl-3-[1-(methylideneamino)ethylidene]urea (CID 91113919) is 1-ethyl-3-[1-(methylideneamino)ethylidene]urea.
What is the SMILES notation for 1-ethyl-3-[1-(methylideneamino)ethylidene]urea?
The canonical SMILES for 1-ethyl-3-[1-(methylideneamino)ethylidene]urea is C=NC(C)=NC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[1-(methylideneamino)ethylidene]urea?
The InChIKey is BVDGHNOVVQEIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-8-6(10)9-5(2)7-3/h3-4H2,1-2H3,(H,8,10).
What are the key properties of 1-ethyl-3-[1-(methylideneamino)ethylidene]urea?
1-ethyl-3-[1-(methylideneamino)ethylidene]urea has a molecular weight of 141.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(methylideneamino)ethylidene]urea is sourced from PubChem (CID 91113919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).