(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine

C18H29FN2 — CID 138563992

IUPAC(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine
SMILESC=C(N)/C=C(C(=C/CCF)\CC)/N(C)/C=C/CC(=C)CC
InChIInChI=1S/C18H29FN2/c1-6-15(3)10-9-13-21(5)18(14-16(4)20)17(7-2)11-8-12-19/h9,11,13-14H,3-4,6-8,10,12,20H2,1-2,5H3/b13-9+,17-11-,18-14+
InChIKeyLVEVEWMTNYNVNO-HESAXARBSA-N
MW292.44 g/mol
LogP4.84
Rot. Bonds10

About (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine

(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine (PubChem CID 138563992) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine.

Molecular Properties

Compound Name(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine
PubChem CID138563992
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine
SMILESC=C(N)/C=C(C(=C/CCF)\CC)/N(C)/C=C/CC(=C)CC
InChIInChI=1S/C18H29FN2/c1-6-15(3)10-9-13-21(5)18(14-16(4)20)17(7-2)11-8-12-19/h9,11,13-14H,3-4,6-8,10,12,20H2,1-2,5H3/b13-9+,17-11-,18-14+
InChIKeyLVEVEWMTNYNVNO-HESAXARBSA-N
XLogP4.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
CID 123887050
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
[(2E,4Z)-6-(dipropylamino)-5-fluoro-4-(2-methylcyclohexa-1,5-dien-1-yl)hexa-2,4-dien-2-yl]cyanamide
CID 134379338
(3E,6Z)-6-[(E)-1-fluoro-2-(methylideneamino)ethenyl]-5-propan-2-ylideneundeca-1,3,6,10-tetraen-3-amine
CID 134380590
(E)-1-N-ethenyl-2-N-methyl-1-N-[(3,4,5-trifluorocyclohepta-1,5-dien-1-yl)methyl]prop-1-ene-1,2-diamine
CID 134448020
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(E)-1-N-ethenyl-2-N-hexa-1,5-dien-2-yl-1-N-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]prop-1-ene-1,2-diamine
CID 134525402
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
2-fluoro-6-(3-methyl-5-methylidene-6-propyl-4H-azepin-1-yl)-4-propylcyclohepta-1,3,6-trien-1-amine
CID 138564053
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine?
The IUPAC name of (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine (CID 138563992) is (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine.
What is the SMILES notation for (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine?
The canonical SMILES for (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine is C=C(N)/C=C(C(=C/CCF)\CC)/N(C)/C=C/CC(=C)CC.
What is the InChIKey of (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine?
The InChIKey is LVEVEWMTNYNVNO-HESAXARBSA-N. The full InChI is InChI=1S/C18H29FN2/c1-6-15(3)10-9-13-21(5)18(14-16(4)20)17(7-2)11-8-12-19/h9,11,13-14H,3-4,6-8,10,12,20H2,1-2,5H3/b13-9+,17-11-,18-14+.
What are the key properties of (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine?
(3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-ethyl-8-fluoro-4-N-methyl-4-N-[(E)-4-methylidenehex-1-enyl]octa-1,3,5-triene-2,4-diamine is sourced from PubChem (CID 138563992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).