(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine

C15H26FN3 — CID 143961810

IUPAC(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/N)C(C)(C)F)N1CCN(CC)CC1
InChIInChI=1S/C15H26FN3/c1-5-13(7-8-14(17)15(3,4)16)19-11-9-18(6-2)10-12-19/h5,7-8H,1,6,9-12,17H2,2-4H3/b13-7+,14-8-
InChIKeyHGAONVGVCBGMAX-GUZOQHLSSA-N
MW267.39 g/mol
LogP2.28
Rot. Bonds5

About (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine

(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine (PubChem CID 143961810) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine
PubChem CID143961810
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/N)C(C)(C)F)N1CCN(CC)CC1
InChIInChI=1S/C15H26FN3/c1-5-13(7-8-14(17)15(3,4)16)19-11-9-18(6-2)10-12-19/h5,7-8H,1,6,9-12,17H2,2-4H3/b13-7+,14-8-
InChIKeyHGAONVGVCBGMAX-GUZOQHLSSA-N
XLogP2.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine with MolForge

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
CID 123637709
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine?
The IUPAC name of (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine (CID 143961810) is (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine is C=C/C(=C\C=C(/N)C(C)(C)F)N1CCN(CC)CC1.
What is the InChIKey of (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine?
The InChIKey is HGAONVGVCBGMAX-GUZOQHLSSA-N. The full InChI is InChI=1S/C15H26FN3/c1-5-13(7-8-14(17)15(3,4)16)19-11-9-18(6-2)10-12-19/h5,7-8H,1,6,9-12,17H2,2-4H3/b13-7+,14-8-.
What are the key properties of (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine?
(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine has a molecular weight of 267.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 143961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).