N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide

C16H26N4O — CID 111094994

IUPACN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N4O/c1-5-12-7-6-8-13(11-12)20-15(17)19-10-9-18-14(21)16(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H3,17,19,20)
InChIKeyKGUIQSXDXRJHNT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds5

About N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 111094994) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID111094994
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N4O/c1-5-12-7-6-8-13(11-12)20-15(17)19-10-9-18-14(21)16(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H3,17,19,20)
InChIKeyKGUIQSXDXRJHNT-UHFFFAOYSA-N
XLogP2.14
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
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-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111075611
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095574
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094961
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111043687
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111095009
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094948
tert-butyl 4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]piperazine-1-carboxylate;hydroiodide
CID 111070953
methyl 5-[[amino-(3-ethylanilino)methylidene]amino]pentanoate
CID 111086133
1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111069292
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095030
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide (CID 111094994) is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide is CCc1cccc(N/C(N)=N/CCNC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is KGUIQSXDXRJHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-12-7-6-8-13(11-12)20-15(17)19-10-9-18-14(21)16(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H3,17,19,20).
What are the key properties of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111094994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).