2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H26FIN4O — CID 111366128

IUPAC2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C17H25FN4O.HI/c1-4-19-16(20-11-15(23)22(2)3)21-12-17(9-10-17)13-5-7-14(18)8-6-13;/h5-8H,4,9-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyLUDGEWDUKKBLAZ-UHFFFAOYSA-N
MW448.32 g/mol
LogP2.12
Rot. Bonds6

About 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111366128) has the molecular formula C17H26FIN4O and a molecular weight of 448.32 g/mol. Its IUPAC name is 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111366128
Molecular FormulaC17H26FIN4O
Molecular Weight448.32 g/mol
Exact Mass448.11
IUPAC Name2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C17H25FN4O.HI/c1-4-19-16(20-11-15(23)22(2)3)21-12-17(9-10-17)13-5-7-14(18)8-6-13;/h5-8H,4,9-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyLUDGEWDUKKBLAZ-UHFFFAOYSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-[[[[1-(4-bromophenyl)cyclobutyl]methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364298
2-[[ethylamino-[(1-phenylcyclobutyl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364849
2-[[ethylamino-[[1-(3-fluorophenyl)cyclohexyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364683
1-[[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570935
4-[[[ethylamino-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874210
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111638687
2-[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365522
2-[[ethylamino-[[2-(4-fluorophenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364028
N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide
CID 111855792
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036991
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638688
2-[[ethylamino-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365844

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111366128) is 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC1(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is LUDGEWDUKKBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O.HI/c1-4-19-16(20-11-15(23)22(2)3)21-12-17(9-10-17)13-5-7-14(18)8-6-13;/h5-8H,4,9-12H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 448.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111366128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).