(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine

C13H21FN2 — CID 146333372

IUPAC(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine
SMILESC=C/C(F)=C1/C=C(CC)C(C)NC1(C)NC
InChIInChI=1S/C13H21FN2/c1-6-10-8-11(12(14)7-2)13(4,15-5)16-9(10)3/h7-9,15-16H,2,6H2,1,3-5H3/b12-11+
InChIKeyMLVZUUDJYYSNLC-VAWYXSNFSA-N
MW224.32 g/mol
LogP2.66
Rot. Bonds3

About (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine

(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine (PubChem CID 146333372) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine
PubChem CID146333372
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine
SMILESC=C/C(F)=C1/C=C(CC)C(C)NC1(C)NC
InChIInChI=1S/C13H21FN2/c1-6-10-8-11(12(14)7-2)13(4,15-5)16-9(10)3/h7-9,15-16H,2,6H2,1,3-5H3/b12-11+
InChIKeyMLVZUUDJYYSNLC-VAWYXSNFSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine?
The IUPAC name of (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine (CID 146333372) is (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine.
What is the SMILES notation for (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine?
The canonical SMILES for (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine is C=C/C(F)=C1/C=C(CC)C(C)NC1(C)NC.
What is the InChIKey of (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine?
The InChIKey is MLVZUUDJYYSNLC-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H21FN2/c1-6-10-8-11(12(14)7-2)13(4,15-5)16-9(10)3/h7-9,15-16H,2,6H2,1,3-5H3/b12-11+.
What are the key properties of (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine?
(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine has a molecular weight of 224.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 146333372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).