6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine

C17H21FN2 — CID 130349826

IUPAC6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
SMILESC=CC1C=C(F)C=CC(C2=C(C)C=CC(NC)N2C)=C1
InChIInChI=1S/C17H21FN2/c1-5-13-10-14(7-8-15(18)11-13)17-12(2)6-9-16(19-3)20(17)4/h5-11,13,16,19H,1H2,2-4H3
InChIKeyKEVUOUSRCWIBDI-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.46
Rot. Bonds3

About 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine

6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine (PubChem CID 130349826) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
PubChem CID130349826
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
SMILESC=CC1C=C(F)C=CC(C2=C(C)C=CC(NC)N2C)=C1
InChIInChI=1S/C17H21FN2/c1-5-13-10-14(7-8-15(18)11-13)17-12(2)6-9-16(19-3)20(17)4/h5-11,13,16,19H,1H2,2-4H3
InChIKeyKEVUOUSRCWIBDI-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-ethylidene-4-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2-methylpropyl)-1,6-dihydropyrimidine
CID 138663310
4-[(3E)-4-(fluoromethylamino)-5-methylhepta-1,3-dien-3-yl]-1-methyl-N-prop-1-enyl-2H-pyridin-2-amine
CID 139453634
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 145195918
(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
CID 146583215
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
1-N'-[1-[(6Z)-6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienylidene]-4-fluoro-5-methylidenecyclohexa-1,3-dien-1-yl]ethenyl]propane-1,1-diamine
CID 156075533
N'-ethyl-N-[(3Z)-1-fluorohexa-3,5-dien-3-yl]-N'-propylmethanediamine
CID 174319375
3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
CID 176962601
N,N,2-trimethyl-N'-(8-methyl-1,7-dihydroquinolin-2-yl)propane-1,3-diamine
CID 69640710
1-N'-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-1-N-[(3Z)-2-methylidenehexa-3,5-dienyl]ethane-1,1-diamine
CID 118181312
6-(6-ethyl-1,3-dimethyl-2H-pyridin-5-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
CID 132125524

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine?
The IUPAC name of 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine (CID 130349826) is 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine.
What is the SMILES notation for 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine?
The canonical SMILES for 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine is C=CC1C=C(F)C=CC(C2=C(C)C=CC(NC)N2C)=C1.
What is the InChIKey of 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine?
The InChIKey is KEVUOUSRCWIBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-5-13-10-14(7-8-15(18)11-13)17-12(2)6-9-16(19-3)20(17)4/h5-11,13,16,19H,1H2,2-4H3.
What are the key properties of 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine?
6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine has a molecular weight of 272.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethenyl-5-fluorocyclohepta-1,4,6-trien-1-yl)-N,1,5-trimethyl-2H-pyridin-2-amine is sourced from PubChem (CID 130349826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).