5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine

C11H20FN3 — CID 145195918

IUPAC5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCNC1=C(/C=C\CN)CN(CCF)CC1
InChIInChI=1S/C11H20FN3/c1-14-11-4-7-15(8-5-12)9-10(11)3-2-6-13/h2-3,14H,4-9,13H2,1H3/b3-2-
InChIKeyPMTQBKNXLFRUJZ-IHWYPQMZSA-N
MW213.30 g/mol
LogP0.65
Rot. Bonds5

About 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine

5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 145195918) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID145195918
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESCNC1=C(/C=C\CN)CN(CCF)CC1
InChIInChI=1S/C11H20FN3/c1-14-11-4-7-15(8-5-12)9-10(11)3-2-6-13/h2-3,14H,4-9,13H2,1H3/b3-2-
InChIKeyPMTQBKNXLFRUJZ-IHWYPQMZSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine (CID 145195918) is 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine is CNC1=C(/C=C\CN)CN(CCF)CC1.
What is the InChIKey of 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is PMTQBKNXLFRUJZ-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H20FN3/c1-14-11-4-7-15(8-5-12)9-10(11)3-2-6-13/h2-3,14H,4-9,13H2,1H3/b3-2-.
What are the key properties of 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 213.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 145195918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).