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

C11H25IN4O3 — CID 111037013

IUPAC2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(=O)NCCOC.I
InChIInChI=1S/C11H24N4O3.HI/c1-3-18-7-4-5-14-11(12)15-9-10(16)13-6-8-17-2;/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15);1H
InChIKeyPJBIXDQMWBQEMZ-UHFFFAOYSA-N
MW388.25 g/mol
LogP-0.30
Rot. Bonds10

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

2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111037013) has the molecular formula C11H25IN4O3 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111037013
Molecular FormulaC11H25IN4O3
Molecular Weight388.25 g/mol
Exact Mass388.10
IUPAC Name2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(=O)NCCOC.I
InChIInChI=1S/C11H24N4O3.HI/c1-3-18-7-4-5-14-11(12)15-9-10(16)13-6-8-17-2;/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15);1H
InChIKeyPJBIXDQMWBQEMZ-UHFFFAOYSA-N
XLogP-0.30
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 5-0.30
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'}

Analyze 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037014
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
CID 75532521
2-[[amino(diethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037001
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111025700
1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070159
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111037013) is 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCOCCCN/C(N)=N/CC(=O)NCCOC.I.
What is the InChIKey of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is PJBIXDQMWBQEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3.HI/c1-3-18-7-4-5-14-11(12)15-9-10(16)13-6-8-17-2;/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15);1H.
What are the key properties of 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of -0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 111037013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).