1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine

C12H18F2N2 — CID 155728285

IUPAC1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine
SMILESC=C(N)NCC(=C\CC)/C(F)=C\C(F)=C/C
InChIInChI=1S/C12H18F2N2/c1-4-6-10(8-16-9(3)15)12(14)7-11(13)5-2/h5-7,16H,3-4,8,15H2,1-2H3/b10-6+,11-5+,12-7+
InChIKeyGEDHZDZZSTXXTD-CZXLTDDPSA-N
MW228.29 g/mol
LogP3.07
Rot. Bonds6

About 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine

1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine (PubChem CID 155728285) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine
PubChem CID155728285
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine
SMILESC=C(N)NCC(=C\CC)/C(F)=C\C(F)=C/C
InChIInChI=1S/C12H18F2N2/c1-4-6-10(8-16-9(3)15)12(14)7-11(13)5-2/h5-7,16H,3-4,8,15H2,1-2H3/b10-6+,11-5+,12-7+
InChIKeyGEDHZDZZSTXXTD-CZXLTDDPSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-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

3-Methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 89073813
(2E)-2-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1-N'-(trifluoromethyl)hexa-2,4-diene-1,1-diamine
CID 134549736
3-[(4E,6E)-7-amino-4,8-difluoro-3-methylideneocta-4,6-dien-1-ynyl]-4-methyl-1,2-dihydropyridin-6-amine
CID 138718348
3-[(3E,5Z)-3-[(Z)-2-amino-1-fluoroethenyl]-4-fluorohepta-1,3,5-trienyl]-5-(aminomethyl)-1,2-dihydropyridin-6-amine
CID 138718899
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
CID 146583215
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
1-N'-[(2Z,4Z)-4,5-difluoro-6-methylhepta-2,4,6-trienyl]-1-N-methylethane-1,1-diamine
CID 166888907
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
CID 169149259
1-N'-(2-fluoro-2-methylpropyl)-1-N-[(E,2E)-4-methyl-2-prop-2-enylidenehex-3-enyl]ethene-1,1-diamine
CID 169900801
1-N'-[(E)-6-fluoro-4-methylidene-2-[(Z)-prop-1-enyl]hept-2-enyl]-1-N-methylethene-1,1-diamine
CID 169901309
(2E,4E)-2-ethyl-5,6-difluoro-N-methylhepta-2,4-dien-1-amine
CID 143279772

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine (CID 155728285) is 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine is C=C(N)NCC(=C\CC)/C(F)=C\C(F)=C/C.
What is the InChIKey of 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine?
The InChIKey is GEDHZDZZSTXXTD-CZXLTDDPSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-4-6-10(8-16-9(3)15)12(14)7-11(13)5-2/h5-7,16H,3-4,8,15H2,1-2H3/b10-6+,11-5+,12-7+.
What are the key properties of 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine?
1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine has a molecular weight of 228.29 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine is sourced from PubChem (CID 155728285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).