N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide

C11H25IN4O2 — CID 110975894

IUPACN-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)NCCCOC.I
InChIInChI=1S/C11H24N4O2.HI/c1-4-12-10(16)9-15-11(13-5-2)14-7-6-8-17-3;/h4-9H2,1-3H3,(H,12,16)(H2,13,14,15);1H
InChIKeyCEOKSKMAOWASAC-UHFFFAOYSA-N
MW372.25 g/mol
LogP0.33
Rot. Bonds8

About N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide

N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110975894) has the molecular formula C11H25IN4O2 and a molecular weight of 372.25 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID110975894
Molecular FormulaC11H25IN4O2
Molecular Weight372.25 g/mol
Exact Mass372.10
IUPAC NameN-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)NCCCOC.I
InChIInChI=1S/C11H24N4O2.HI/c1-4-12-10(16)9-15-11(13-5-2)14-7-6-8-17-3;/h4-9H2,1-3H3,(H,12,16)(H2,13,14,15);1H
InChIKeyCEOKSKMAOWASAC-UHFFFAOYSA-N
XLogP0.33
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 50.33
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

2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
N-ethyl-2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111651521
2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111151737
2-[[ethylamino-(5-methylhexylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111580173
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110979138
2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111652856
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111398236
3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 110976492
N-ethyl-4-[[[ethylamino-(3-methoxypropylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110973138
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111398237
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110966967

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide (CID 110975894) is N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide is CCNC(=O)C/N=C(\NCC)NCCCOC.I.
What is the InChIKey of N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is CEOKSKMAOWASAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2.HI/c1-4-12-10(16)9-15-11(13-5-2)14-7-6-8-17-3;/h4-9H2,1-3H3,(H,12,16)(H2,13,14,15);1H.
What are the key properties of N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide?
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 372.25 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110975894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).