(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine

C15H24FN3 — CID 163607220

IUPAC(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
SMILESC=C/C=C(/F)CC(C)NC(C)=C1CNCC/C1=N\C
InChIInChI=1S/C15H24FN3/c1-5-6-13(16)9-11(2)19-12(3)14-10-18-8-7-15(14)17-4/h5-6,11,18-19H,1,7-10H2,2-4H3/b13-6+,14-12?,17-15+
InChIKeyRDCYFPBBPIVQQH-ZOKNTZLJSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds5

About (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine

(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine (PubChem CID 163607220) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
PubChem CID163607220
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
SMILESC=C/C=C(/F)CC(C)NC(C)=C1CNCC/C1=N\C
InChIInChI=1S/C15H24FN3/c1-5-6-13(16)9-11(2)19-12(3)14-10-18-8-7-15(14)17-4/h5-6,11,18-19H,1,7-10H2,2-4H3/b13-6+,14-12?,17-15+
InChIKeyRDCYFPBBPIVQQH-ZOKNTZLJSA-N
XLogP2.73
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine
CID 89245170
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene
CID 143722040
N-[(3Z)-3-[C-(difluoromethyl)-N-methylcarbonimidoyl]-5-methylhexa-1,3,5-trien-2-yl]cyclohexanamine
CID 167055985
[3-(4-Fluorocyclohexa-1,5-dien-1-yl)imino-1-methylpiperidin-2-ylidene]methanamine
CID 173753363
(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine
CID 175612118
(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
CID 177021763
Hexahydro-benzo[b][1,7]phenanthroline
CID 129756946

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine?
The IUPAC name of (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine (CID 163607220) is (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine.
What is the SMILES notation for (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine?
The canonical SMILES for (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine is C=C/C=C(/F)CC(C)NC(C)=C1CNCC/C1=N\C.
What is the InChIKey of (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine?
The InChIKey is RDCYFPBBPIVQQH-ZOKNTZLJSA-N. The full InChI is InChI=1S/C15H24FN3/c1-5-6-13(16)9-11(2)19-12(3)14-10-18-8-7-15(14)17-4/h5-6,11,18-19H,1,7-10H2,2-4H3/b13-6+,14-12?,17-15+.
What are the key properties of (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine?
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine is sourced from PubChem (CID 163607220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).