(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine

C18H24FN — CID 134187592

IUPAC(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine
SMILESC=C/C=C(\C=C(C)C)NC(=C)/C(C=C)=C\C(F)=C(C)C
InChIInChI=1S/C18H24FN/c1-8-10-17(11-13(3)4)20-15(7)16(9-2)12-18(19)14(5)6/h8-12,20H,1-2,7H2,3-6H3/b16-12-,17-10+
InChIKeyZWRVHJOHNIXMRU-QOLBCMIVSA-N
MW273.40 g/mol
LogP5.50
Rot. Bonds7

About (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine

(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine (PubChem CID 134187592) has the molecular formula C18H24FN and a molecular weight of 273.40 g/mol. Its IUPAC name is (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine
PubChem CID134187592
Molecular FormulaC18H24FN
Molecular Weight273.40 g/mol
Exact Mass273.19
IUPAC Name(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine
SMILESC=C/C=C(\C=C(C)C)NC(=C)/C(C=C)=C\C(F)=C(C)C
InChIInChI=1S/C18H24FN/c1-8-10-17(11-13(3)4)20-15(7)16(9-2)12-18(19)14(5)6/h8-12,20H,1-2,7H2,3-6H3/b16-12-,17-10+
InChIKeyZWRVHJOHNIXMRU-QOLBCMIVSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine with MolForge

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Related Compounds

(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
CID 143052438
(3E)-3-chloro-5-fluoro-6-methylhepta-1,3,5-triene
CID 143795791
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
(3E,5E)-5-methyl-4-(2-methylprop-1-enyl)hepta-1,3,5-triene;2-methylprop-1-ene
CID 145084026
ethane;(3E)-3-fluoro-4,6-dimethylhepta-1,3,5-triene
CID 176957823
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
CID 146261857
(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine
CID 168926091
(3E)-4-methoxy-6-methylhepta-1,3,5-triene
CID 88949274
(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
CID 144989388

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine (CID 134187592) is (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine is C=C/C=C(\C=C(C)C)NC(=C)/C(C=C)=C\C(F)=C(C)C.
What is the InChIKey of (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine?
The InChIKey is ZWRVHJOHNIXMRU-QOLBCMIVSA-N. The full InChI is InChI=1S/C18H24FN/c1-8-10-17(11-13(3)4)20-15(7)16(9-2)12-18(19)14(5)6/h8-12,20H,1-2,7H2,3-6H3/b16-12-,17-10+.
What are the key properties of (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine?
(3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine has a molecular weight of 273.40 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-5-fluoro-6-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-4-yl]hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 134187592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).