N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide

C14H21IN4O2 — CID 111030481

IUPACN-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCNC(=O)C2CC2)c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-20-12-4-2-3-11(9-12)18-14(15)17-8-7-16-13(19)10-5-6-10;/h2-4,9-10H,5-8H2,1H3,(H,16,19)(H3,15,17,18);1H
InChIKeyAONJLYXGXKAHOZ-UHFFFAOYSA-N
MW404.25 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide

N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide (PubChem CID 111030481) has the molecular formula C14H21IN4O2 and a molecular weight of 404.25 g/mol. Its IUPAC name is N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
PubChem CID111030481
Molecular FormulaC14H21IN4O2
Molecular Weight404.25 g/mol
Exact Mass404.07
IUPAC NameN-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCNC(=O)C2CC2)c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-20-12-4-2-3-11(9-12)18-14(15)17-8-7-16-13(19)10-5-6-10;/h2-4,9-10H,5-8H2,1H3,(H,16,19)(H3,15,17,18);1H
InChIKeyAONJLYXGXKAHOZ-UHFFFAOYSA-N
XLogP1.57
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938
N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111043065
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]-3-bromobenzamide;hydroiodide
CID 111094126
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111821840

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide (CID 111030481) is N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide is COc1cccc(N/C(N)=N/CCNC(=O)C2CC2)c1.I.
What is the InChIKey of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The InChIKey is AONJLYXGXKAHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.HI/c1-20-12-4-2-3-11(9-12)18-14(15)17-8-7-16-13(19)10-5-6-10;/h2-4,9-10H,5-8H2,1H3,(H,16,19)(H3,15,17,18);1H.
What are the key properties of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide has a molecular weight of 404.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide is sourced from PubChem (CID 111030481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).