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

C13H26FN3 — CID 172631823

IUPAC(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane
SMILESC=C(C)/C(F)=N\C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C11H20FN3.C2H6/c1-9(2)11(12)13-10(3)15(6)8-7-14(4)5;1-2/h1,3,7-8H2,2,4-6H3;1-2H3/b13-11+;
InChIKeyDIRHXPDXWHQXAY-BNSHTTSQSA-N
MW243.37 g/mol
LogP2.92
Rot. Bonds6

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

(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane (PubChem CID 172631823) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane.

Molecular Properties

Compound Name(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane
PubChem CID172631823
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane
SMILESC=C(C)/C(F)=N\C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C11H20FN3.C2H6/c1-9(2)11(12)13-10(3)15(6)8-7-14(4)5;1-2/h1,3,7-8H2,2,4-6H3;1-2H3/b13-11+;
InChIKeyDIRHXPDXWHQXAY-BNSHTTSQSA-N
XLogP2.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.92
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)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
CID 172631824
(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
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;ethane?
The IUPAC name of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane (CID 172631823) is (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane.
What is the SMILES notation for (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane?
The canonical SMILES for (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane is C=C(C)/C(F)=N\C(=C)N(C)CCN(C)C.CC.
What is the InChIKey of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane?
The InChIKey is DIRHXPDXWHQXAY-BNSHTTSQSA-N. The full InChI is InChI=1S/C11H20FN3.C2H6/c1-9(2)11(12)13-10(3)15(6)8-7-14(4)5;1-2/h1,3,7-8H2,2,4-6H3;1-2H3/b13-11+;.
What are the key properties of (1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane?
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane has a molecular weight of 243.37 g/mol, XLogP of 2.92, 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;ethane is sourced from PubChem (CID 172631823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).