(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride

C11H21FN2 — CID 143782064

IUPAC(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride
SMILESCC/C(=C\C(F)=N\C)C(C)CCNC
InChIInChI=1S/C11H21FN2/c1-5-10(8-11(12)14-4)9(2)6-7-13-3/h8-9,13H,5-7H2,1-4H3/b10-8+,14-11-
InChIKeyHHRPKOGRSGKFAV-LTBWBYIDSA-N
MW200.30 g/mol
LogP2.57
Rot. Bonds6

About (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride

(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride (PubChem CID 143782064) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride
PubChem CID143782064
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride
SMILESCC/C(=C\C(F)=N\C)C(C)CCNC
InChIInChI=1S/C11H21FN2/c1-5-10(8-11(12)14-4)9(2)6-7-13-3/h8-9,13H,5-7H2,1-4H3/b10-8+,14-11-
InChIKeyHHRPKOGRSGKFAV-LTBWBYIDSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
CID 134388221
2-Fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135096
(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
CID 139376285
(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine
CID 146321030
6-fluoro-N-methyl-4-propyl-2,3-dihydropyridin-2-amine
CID 164167165
(Z)-N-methyl-3-propyl-5-(trifluoromethyl)hept-4-en-1-amine
CID 144718897
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine
CID 123551471
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride?
The IUPAC name of (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride (CID 143782064) is (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride.
What is the SMILES notation for (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride?
The canonical SMILES for (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride is CC/C(=C\C(F)=N\C)C(C)CCNC.
What is the InChIKey of (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride?
The InChIKey is HHRPKOGRSGKFAV-LTBWBYIDSA-N. The full InChI is InChI=1S/C11H21FN2/c1-5-10(8-11(12)14-4)9(2)6-7-13-3/h8-9,13H,5-7H2,1-4H3/b10-8+,14-11-.
What are the key properties of (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride?
(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride has a molecular weight of 200.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride is sourced from PubChem (CID 143782064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).