2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

C14H27F3IN5O2 — CID 111914477

IUPAC2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NC1CCN(CC(F)(F)F)C1.I
InChIInChI=1S/C14H26F3N5O2.HI/c1-3-18-13(20-8-12(23)19-5-7-24-2)21-11-4-6-22(9-11)10-14(15,16)17;/h11H,3-10H2,1-2H3,(H,19,23)(H2,18,20,21);1H
InChIKeyZKJNZGWUSASFJB-UHFFFAOYSA-N
MW481.30 g/mol
LogP0.56
Rot. Bonds8

About 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111914477) has the molecular formula C14H27F3IN5O2 and a molecular weight of 481.30 g/mol. Its IUPAC name is 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111914477
Molecular FormulaC14H27F3IN5O2
Molecular Weight481.30 g/mol
Exact Mass481.12
IUPAC Name2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NC1CCN(CC(F)(F)F)C1.I
InChIInChI=1S/C14H26F3N5O2.HI/c1-3-18-13(20-8-12(23)19-5-7-24-2)21-11-4-6-22(9-11)10-14(15,16)17;/h11H,3-10H2,1-2H3,(H,19,23)(H2,18,20,21);1H
InChIKeyZKJNZGWUSASFJB-UHFFFAOYSA-N
XLogP0.56
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.30
LogP ≤ 50.56
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-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]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-[[(2-methoxyethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109376478
N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109376560
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109377248
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 109377249
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 109472520
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide
CID 109472521
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109472522
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 109472523
2-Methyl-1-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109800553
2-Methyl-1-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109800554
N-methyl-2-[[N'-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109801421
2-Methyl-1-(1-propanoylpyrrolidin-3-yl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109816682

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111914477) is 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCCOC)NC1CCN(CC(F)(F)F)C1.I.
What is the InChIKey of 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is ZKJNZGWUSASFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N5O2.HI/c1-3-18-13(20-8-12(23)19-5-7-24-2)21-11-4-6-22(9-11)10-14(15,16)17;/h11H,3-10H2,1-2H3,(H,19,23)(H2,18,20,21);1H.
What are the key properties of 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 481.30 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 111914477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).