N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide

C15H22N4O — CID 111030532

IUPACN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCc1ccc(N/C(N)=N/CCNC(=O)C2CC2)cc1
InChIInChI=1S/C15H22N4O/c1-2-11-3-7-13(8-4-11)19-15(16)18-10-9-17-14(20)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,17,20)(H3,16,18,19)
InChIKeyRKAOMBRKAXYBII-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111030532) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
PubChem CID111030532
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCc1ccc(N/C(N)=N/CCNC(=O)C2CC2)cc1
InChIInChI=1S/C15H22N4O/c1-2-11-3-7-13(8-4-11)19-15(16)18-10-9-17-14(20)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,17,20)(H3,16,18,19)
InChIKeyRKAOMBRKAXYBII-UHFFFAOYSA-N
XLogP1.50
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
N-[3-[[amino(anilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752283
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111821897
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide (CID 111030532) is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide is CCc1ccc(N/C(N)=N/CCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is RKAOMBRKAXYBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-11-3-7-13(8-4-11)19-15(16)18-10-9-17-14(20)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,17,20)(H3,16,18,19).
What are the key properties of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111030532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).