(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine

C15H23FN2 — CID 177041004

IUPAC(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine
SMILESC=CNC(=C/C)/C(F)=C\C(CCC)=N/C(C)=C\C
InChIInChI=1S/C15H23FN2/c1-6-10-13(18-12(5)7-2)11-14(16)15(8-3)17-9-4/h7-9,11,17H,4,6,10H2,1-3,5H3/b12-7-,14-11+,15-8+,18-13-
InChIKeyJBWRVASDHNMSGV-SWWSGFENSA-N
MW250.36 g/mol
LogP4.64
Rot. Bonds7

About (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine

(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine (PubChem CID 177041004) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine
PubChem CID177041004
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine
SMILESC=CNC(=C/C)/C(F)=C\C(CCC)=N/C(C)=C\C
InChIInChI=1S/C15H23FN2/c1-6-10-13(18-12(5)7-2)11-14(16)15(8-3)17-9-4/h7-9,11,17H,4,6,10H2,1-3,5H3/b12-7-,14-11+,15-8+,18-13-
InChIKeyJBWRVASDHNMSGV-SWWSGFENSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
CID 166958594
N-ethenyl-N'-propylethanimidamide
CID 123737533
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
(E)-N-ethenyl-3-methylhept-2-enamide
CID 121464271
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
CID 138555327
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(E)-4-[[(2Z,5Z)-4-[1-[4-(3-oxo-3-phenylprop-1-en-2-yl)phenyl]ethenylimino]hepta-2,5-dien-3-yl]amino]hept-3-en-2-one
CID 142917086
(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
CID 155185239

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine (CID 177041004) is (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine is C=CNC(=C/C)/C(F)=C\C(CCC)=N/C(C)=C\C.
What is the InChIKey of (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine?
The InChIKey is JBWRVASDHNMSGV-SWWSGFENSA-N. The full InChI is InChI=1S/C15H23FN2/c1-6-10-13(18-12(5)7-2)11-14(16)15(8-3)17-9-4/h7-9,11,17H,4,6,10H2,1-3,5H3/b12-7-,14-11+,15-8+,18-13-.
What are the key properties of (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine?
(2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine has a molecular weight of 250.36 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-[(Z)-but-2-en-2-yl]imino-N-ethenyl-4-fluoronona-2,4-dien-3-amine is sourced from PubChem (CID 177041004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).