(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine

C12H17FN2 — CID 155228813

IUPAC(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
SMILESC=CN/C(=C\CCC)C1=C(F)NCC=C1
InChIInChI=1S/C12H17FN2/c1-3-5-8-11(14-4-2)10-7-6-9-15-12(10)13/h4,6-8,14-15H,2-3,5,9H2,1H3/b11-8-
InChIKeyRGGQWWDESJDTRY-FLIBITNWSA-N
MW208.28 g/mol
LogP2.74
Rot. Bonds5

About (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine

(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine (PubChem CID 155228813) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
PubChem CID155228813
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
SMILESC=CN/C(=C\CCC)C1=C(F)NCC=C1
InChIInChI=1S/C12H17FN2/c1-3-5-8-11(14-4-2)10-7-6-9-15-12(10)13/h4,6-8,14-15H,2-3,5,9H2,1H3/b11-8-
InChIKeyRGGQWWDESJDTRY-FLIBITNWSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22615259
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CID 70913563
(1E,3Z)-5-(3,5-difluorocyclohexa-1,5-dien-1-yl)hexa-1,3,5-triene-1,2-diamine
CID 89224155
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine
CID 89361435
4-Ethyl-2-fluoro-1,2-dihydropyridine
CID 118478905
1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
CID 118882786
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
4-fluoro-5,6-dihydro-1H-indole
CID 123307377
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
7-fluoro-4-methyl-5,6-dihydro-1H-indole
CID 123444746
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine?
The IUPAC name of (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine (CID 155228813) is (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine?
The canonical SMILES for (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine is C=CN/C(=C\CCC)C1=C(F)NCC=C1.
What is the InChIKey of (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine?
The InChIKey is RGGQWWDESJDTRY-FLIBITNWSA-N. The full InChI is InChI=1S/C12H17FN2/c1-3-5-8-11(14-4-2)10-7-6-9-15-12(10)13/h4,6-8,14-15H,2-3,5,9H2,1H3/b11-8-.
What are the key properties of (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine?
(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine is sourced from PubChem (CID 155228813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).