(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine

C15H23FN2 — CID 145145037

IUPAC(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(F)=C/C)NCC(=C/C(C)C)/N=C/C
InChIInChI=1S/C15H23FN2/c1-6-13(16)10-14(7-2)18-11-15(17-8-3)9-12(4)5/h6-10,12,18H,2,11H2,1,3-5H3/b13-6+,14-10+,15-9-,17-8+
InChIKeyOZICPAQFEOQTQC-BGPQRTEFSA-N
MW250.36 g/mol
LogP4.15
Rot. Bonds7

About (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine

(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine (PubChem CID 145145037) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine
PubChem CID145145037
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(F)=C/C)NCC(=C/C(C)C)/N=C/C
InChIInChI=1S/C15H23FN2/c1-6-13(16)10-14(7-2)18-11-15(17-8-3)9-12(4)5/h6-10,12,18H,2,11H2,1,3-5H3/b13-6+,14-10+,15-9-,17-8+
InChIKeyOZICPAQFEOQTQC-BGPQRTEFSA-N
XLogP4.15
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 ≤ 54.15
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'}

Analyze (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine 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

(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
N-[(1E,3Z)-1-(2,2-difluoroethylideneamino)hexa-1,3-dien-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 144217396
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
CID 129126581
(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine
CID 143707398
(3Z,6Z,8E)-8-ethenyl-N-methyl-10-methylidene-5H-azecin-9-amine
CID 144222278
N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine
CID 144509143
ethane;N-methyl-1-(3-methyl-3H-azepin-7-yl)methanamine
CID 145278548
(3Z,8Z)-2,7-dimethyl-10-methylidene-2,7-dihydro-1H-1,5-diazecine;ethane
CID 145631391
N-ethyl-3-[[(2Z,4Z,6Z)-7-methyl-2-(2-methylprop-2-enylidene)nona-4,6,8-trienylidene]amino]prop-1-en-2-amine
CID 156332564

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine (CID 145145037) is (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine is C=C/C(=C\C(F)=C/C)NCC(=C/C(C)C)/N=C/C.
What is the InChIKey of (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine?
The InChIKey is OZICPAQFEOQTQC-BGPQRTEFSA-N. The full InChI is InChI=1S/C15H23FN2/c1-6-13(16)10-14(7-2)18-11-15(17-8-3)9-12(4)5/h6-10,12,18H,2,11H2,1,3-5H3/b13-6+,14-10+,15-9-,17-8+.
What are the key properties of (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine?
(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine has a molecular weight of 250.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145145037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).