2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

C13H29IN4O2 — CID 110979138

IUPAC2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NCCC(C)C.I
InChIInChI=1S/C13H28N4O2.HI/c1-5-14-13(16-7-6-11(2)3)17-10-12(18)15-8-9-19-4;/h11H,5-10H2,1-4H3,(H,15,18)(H2,14,16,17);1H
InChIKeyAARFHHQALISTCS-UHFFFAOYSA-N
MW400.31 g/mol
LogP0.97
Rot. Bonds9

About 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 110979138) has the molecular formula C13H29IN4O2 and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID110979138
Molecular FormulaC13H29IN4O2
Molecular Weight400.31 g/mol
Exact Mass400.13
IUPAC Name2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NCCC(C)C.I
InChIInChI=1S/C13H28N4O2.HI/c1-5-14-13(16-7-6-11(2)3)17-10-12(18)15-8-9-19-4;/h11H,5-10H2,1-4H3,(H,15,18)(H2,14,16,17);1H
InChIKeyAARFHHQALISTCS-UHFFFAOYSA-N
XLogP0.97
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 50.97
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-(5-methylhexylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111580173
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111641538
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110966967
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 110975894
N-tert-butyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383495
N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
CID 111579841
2-[[ethylamino-[2-[3-methoxypropyl(methyl)amino]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111652856
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 110979138) is 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCCOC)NCCC(C)C.I.
What is the InChIKey of 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is AARFHHQALISTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2.HI/c1-5-14-13(16-7-6-11(2)3)17-10-12(18)15-8-9-19-4;/h11H,5-10H2,1-4H3,(H,15,18)(H2,14,16,17);1H.
What are the key properties of 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 400.31 g/mol, XLogP of 0.97, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 110979138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).