N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide

C14H31IN4O3 — CID 75532521

IUPACN-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
SMILESCCOCCCN/C(=N/CCCNC(C)=O)NCCOC.I
InChIInChI=1S/C14H30N4O3.HI/c1-4-21-11-6-9-17-14(18-10-12-20-3)16-8-5-7-15-13(2)19;/h4-12H2,1-3H3,(H,15,19)(H2,16,17,18);1H
InChIKeyHNJUQDATNHOXLI-UHFFFAOYSA-N
MW430.33 g/mol
LogP0.74
Rot. Bonds12

About N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide

N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide (PubChem CID 75532521) has the molecular formula C14H31IN4O3 and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
PubChem CID75532521
Molecular FormulaC14H31IN4O3
Molecular Weight430.33 g/mol
Exact Mass430.14
IUPAC NameN-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
SMILESCCOCCCN/C(=N/CCCNC(C)=O)NCCOC.I
InChIInChI=1S/C14H30N4O3.HI/c1-4-21-11-6-9-17-14(18-10-12-20-3)16-8-5-7-15-13(2)19;/h4-12H2,1-3H3,(H,15,19)(H2,16,17,18);1H
InChIKeyHNJUQDATNHOXLI-UHFFFAOYSA-N
XLogP0.74
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
N-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111943872
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037013
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
CID 111224259
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide (CID 75532521) is N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide is CCOCCCN/C(=N/CCCNC(C)=O)NCCOC.I.
What is the InChIKey of N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide?
The InChIKey is HNJUQDATNHOXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3.HI/c1-4-21-11-6-9-17-14(18-10-12-20-3)16-8-5-7-15-13(2)19;/h4-12H2,1-3H3,(H,15,19)(H2,16,17,18);1H.
What are the key properties of N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide?
N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 0.74, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide is sourced from PubChem (CID 75532521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).