(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride

C11H20FN3 — CID 172631824

IUPAC(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
SMILESC=C(C)/C(F)=N\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H20FN3/c1-9(2)11(12)13-10(3)15(6)8-7-14(4)5/h1,3,7-8H2,2,4-6H3/b13-11+
InChIKeyBXXXIYOXWLHCJF-ACCUITESSA-N
MW213.30 g/mol
LogP1.90
Rot. Bonds6

About (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride

(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride (PubChem CID 172631824) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
PubChem CID172631824
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
SMILESC=C(C)/C(F)=N\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H20FN3/c1-9(2)11(12)13-10(3)15(6)8-7-14(4)5/h1,3,7-8H2,2,4-6H3/b13-11+
InChIKeyBXXXIYOXWLHCJF-ACCUITESSA-N
XLogP1.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143795995
(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632014
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958190
ethane;N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461266
ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
CID 145378916
N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
CID 145378917
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane
CID 172631823
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632013
N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461267

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride?
The IUPAC name of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride (CID 172631824) is (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride.
What is the SMILES notation for (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride?
The canonical SMILES for (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride is C=C(C)/C(F)=N\C(=C)N(C)CCN(C)C.
What is the InChIKey of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride?
The InChIKey is BXXXIYOXWLHCJF-ACCUITESSA-N. The full InChI is InChI=1S/C11H20FN3/c1-9(2)11(12)13-10(3)15(6)8-7-14(4)5/h1,3,7-8H2,2,4-6H3/b13-11+.
What are the key properties of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride?
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride has a molecular weight of 213.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride is sourced from PubChem (CID 172631824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).