(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine

C22H33FN2 — CID 143763318

IUPAC(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine
SMILESC=C(C)C(/N=C(C)/C(=C\C(=C/C)C(=C\C)\C=N\C)C(C)(C)F)=C(C)C
InChIInChI=1S/C22H33FN2/c1-11-18(19(12-2)14-24-10)13-20(22(8,9)23)17(7)25-21(15(3)4)16(5)6/h11-14H,3H2,1-2,4-10H3/b18-11+,19-12+,20-13+,24-14+,25-17+
InChIKeyXZMOHNJUNWBDBE-FQCCYDECSA-N
MW344.52 g/mol
LogP6.59
Rot. Bonds7

About (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine

(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine (PubChem CID 143763318) has the molecular formula C22H33FN2 and a molecular weight of 344.52 g/mol. Its IUPAC name is (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine.

Molecular Properties

Compound Name(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine
PubChem CID143763318
Molecular FormulaC22H33FN2
Molecular Weight344.52 g/mol
Exact Mass344.26
IUPAC Name(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine
SMILESC=C(C)C(/N=C(C)/C(=C\C(=C/C)C(=C\C)\C=N\C)C(C)(C)F)=C(C)C
InChIInChI=1S/C22H33FN2/c1-11-18(19(12-2)14-24-10)13-20(22(8,9)23)17(7)25-21(15(3)4)16(5)6/h11-14H,3H2,1-2,4-10H3/b18-11+,19-12+,20-13+,24-14+,25-17+
InChIKeyXZMOHNJUNWBDBE-FQCCYDECSA-N
XLogP6.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 56.59
H-Bond Donors ≤ 50
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

(4E,6Z)-4-(1-fluoroethenyl)-5-[(1R)-1-[[(2Z,4E)-hexa-2,4-dienylidene]amino]propyl]-7-methyl-N-[(Z)-prop-1-enyl]nona-1,4,6,8-tetraen-3-imine
CID 173799592
(3E)-5-cyclopenta-1,4-dien-1-yl-3-(2-fluoropropan-2-yl)-7-methyl-N-(2-methylprop-2-enyl)nona-3,5-dien-2-imine
CID 144037573
(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
CID 90829351
N-[(5Z)-4-[(7E)-9-[(1Z,3Z,7Z)-4-but-1-enyl-6-(ethylideneamino)-5-methylnona-1,3,5,7-tetraenyl]-8-ethyl-7-methyl-2H-azonin-5-yl]-3-methylocta-1,3,5-trien-2-yl]butan-1-imine
CID 123848990
2,4-dimethyl-N-[(2Z,4Z)-3-(prop-1-en-2-yliminomethyl)hepta-2,4-dien-4-yl]dec-1-en-3-imine
CID 126660744
(3Z,5Z)-2-N,9-dimethyl-7-methylidene-1-N-[(3E)-penta-1,3-dien-2-yl]deca-3,5,9-triene-1,2-diimine
CID 138486150
(3E,5Z)-3-ethenyl-1-N,2-N-bis[(3Z)-penta-1,3-dien-2-yl]hepta-3,5-diene-1,2-diimine
CID 170323687
(5Z,10Z)-2,9-dimethyl-4,7-dimethylidene-1,8-diazacyclotetradeca-2,5,8,10,14-pentaene
CID 173625405
(2E,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine
CID 173902266
N-[(4E,6Z,8Z)-3,5-dimethyldeca-1,2,4,6,8-pentaen-4-yl]-1-(3-methylidene-2H-pyridin-5-yl)propan-2-imine
CID 143721792
(4Z)-N-[(Z,1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]-2-methylbut-2-enyl]-5-methyl-3-methylidenehepta-4,6-dien-2-imine
CID 145180023
(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine
CID 155356808

Frequently Asked Questions

What is the IUPAC name of (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine?
The IUPAC name of (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine (CID 143763318) is (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine.
What is the SMILES notation for (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine?
The canonical SMILES for (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine is C=C(C)C(/N=C(C)/C(=C\C(=C/C)C(=C\C)\C=N\C)C(C)(C)F)=C(C)C.
What is the InChIKey of (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine?
The InChIKey is XZMOHNJUNWBDBE-FQCCYDECSA-N. The full InChI is InChI=1S/C22H33FN2/c1-11-18(19(12-2)14-24-10)13-20(22(8,9)23)17(7)25-21(15(3)4)16(5)6/h11-14H,3H2,1-2,4-10H3/b18-11+,19-12+,20-13+,24-14+,25-17+.
What are the key properties of (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine?
(E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine has a molecular weight of 344.52 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z,3E)-6-N-(2,4-dimethylpenta-1,3-dien-3-yl)-2,3-di(ethylidene)-5-(2-fluoropropan-2-yl)-1-N-methylhept-4-ene-1,6-diimine is sourced from PubChem (CID 143763318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).