3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C11H22F3IN4O — CID 109472544

IUPAC3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCC(F)(F)F.I
InChIInChI=1S/C11H21F3N4O.HI/c1-4-16-9(17-6-5-11(12,13)14)18-7-10(2,3)8(15)19;/h4-7H2,1-3H3,(H2,15,19)(H2,16,17,18);1H
InChIKeyJAAWMEPZFFYOCM-UHFFFAOYSA-N
MW410.22 g/mol
LogP1.62
Rot. Bonds6

About 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 109472544) has the molecular formula C11H22F3IN4O and a molecular weight of 410.22 g/mol. Its IUPAC name is 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID109472544
Molecular FormulaC11H22F3IN4O
Molecular Weight410.22 g/mol
Exact Mass410.08
IUPAC Name3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCC(F)(F)F.I
InChIInChI=1S/C11H21F3N4O.HI/c1-4-16-9(17-6-5-11(12,13)14)18-7-10(2,3)8(15)19;/h4-7H2,1-3H3,(H2,15,19)(H2,16,17,18);1H
InChIKeyJAAWMEPZFFYOCM-UHFFFAOYSA-N
XLogP1.62
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 109471270
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109471272
N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109471273
N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109471438
N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109471439
N-butan-2-yl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109471442
N-butan-2-yl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109471443
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 109472024
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109472025
3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 109472026
3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109472027

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 109472544) is 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CCN/C(=N\CC(C)(C)C(N)=O)NCCC(F)(F)F.I.
What is the InChIKey of 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is JAAWMEPZFFYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O.HI/c1-4-16-9(17-6-5-11(12,13)14)18-7-10(2,3)8(15)19;/h4-7H2,1-3H3,(H2,15,19)(H2,16,17,18);1H.
What are the key properties of 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 410.22 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109472544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).