(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine

C5H9FN2 — CID 129103276

IUPAC(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(/F)NC
InChIInChI=1S/C5H9FN2/c1-7-4-3-5(6)8-2/h3-4,8H,1-2H3/b5-3-,7-4+
InChIKeyLBJAJTLMKXGACX-XKSOLRDRSA-N
MW116.14 g/mol
LogP0.72
Rot. Bonds2

About (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine

(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 129103276) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID129103276
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(/F)NC
InChIInChI=1S/C5H9FN2/c1-7-4-3-5(6)8-2/h3-4,8H,1-2H3/b5-3-,7-4+
InChIKeyLBJAJTLMKXGACX-XKSOLRDRSA-N
XLogP0.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Difluoro-1,2-dihydropyrimidine
CID 19045942
(1E)-1-fluoro-N-[(Z)-3-methyliminoprop-1-enyl]penta-1,4-dien-1-amine
CID 130181904
(E)-2-(ethylideneamino)-1-fluoro-N-methylethenamine
CID 132182480
2-fluoro-1H-1,4-diazepine
CID 162076745
(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 166751069
(Z)-1,1,1-trifluoro-N-methyl-4-methyliminobut-2-en-2-amine
CID 166907318
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylbut-2-en-2-amine
CID 153660926
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
dimethyl-[(E)-3-(methylamino)prop-2-enylidene]azanium
CID 59154262
Dimethyl-[3-(methylamino)prop-2-enylidene]azanium
CID 72542337

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine (CID 129103276) is (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine is C/N=C/C=C(/F)NC.
What is the InChIKey of (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is LBJAJTLMKXGACX-XKSOLRDRSA-N. The full InChI is InChI=1S/C5H9FN2/c1-7-4-3-5(6)8-2/h3-4,8H,1-2H3/b5-3-,7-4+.
What are the key properties of (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
(E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 116.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 129103276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).