(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine

C18H27F2N3 — CID 135268704

IUPAC(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine
SMILESC=CN(C)/C(NC)=C(/CC1=CCC(F)C(C(C)F)=C1)C(=C)NC
InChIInChI=1S/C18H27F2N3/c1-7-23(6)18(22-5)16(13(3)21-4)11-14-8-9-17(20)15(10-14)12(2)19/h7-8,10,12,17,21-22H,1,3,9,11H2,2,4-6H3/b18-16-
InChIKeyFTPYVLDUZNQNPY-VLGSPTGOSA-N
MW323.43 g/mol
LogP3.57
Rot. Bonds8

About (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine

(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine (PubChem CID 135268704) has the molecular formula C18H27F2N3 and a molecular weight of 323.43 g/mol. Its IUPAC name is (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine.

Molecular Properties

Compound Name(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine
PubChem CID135268704
Molecular FormulaC18H27F2N3
Molecular Weight323.43 g/mol
Exact Mass323.22
IUPAC Name(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine
SMILESC=CN(C)/C(NC)=C(/CC1=CCC(F)C(C(C)F)=C1)C(=C)NC
InChIInChI=1S/C18H27F2N3/c1-7-23(6)18(22-5)16(13(3)21-4)11-14-8-9-17(20)15(10-14)12(2)19/h7-8,10,12,17,21-22H,1,3,9,11H2,2,4-6H3/b18-16-
InChIKeyFTPYVLDUZNQNPY-VLGSPTGOSA-N
XLogP3.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine with MolForge

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Related Compounds

(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
4-[(3E)-4-(fluoromethylamino)-5-methylhepta-1,3-dien-3-yl]-1-methyl-N-prop-1-enyl-2H-pyridin-2-amine
CID 139453634
(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine
CID 146345901
1-N'-[1-[(6Z)-6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienylidene]-4-fluoro-5-methylidenecyclohexa-1,3-dien-1-yl]ethenyl]propane-1,1-diamine
CID 156075533
5,5,6-trifluoro-2-methyl-3-N-[(Z)-3-(methylamino)prop-1-enyl]-3H-cyclopenta[c]pyridine-3,7-diamine
CID 156450814
N'-[(1R,4Z)-4-(2,2-difluoropropylidene)-3-ethylcyclopent-2-en-1-yl]-N-methyl-N'-[(E)-prop-1-enyl]methanediamine
CID 164091931
(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine
CID 167067959
(E)-2-N-[1-(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)ethyl]-1-N-[(3Z)-5-methylidenenona-1,3-dien-4-yl]prop-1-ene-1,2-diamine
CID 167146945
4-[2-[(3Z,6Z)-2-fluoroocta-3,6-dienyl]-1H-pyridin-4-yl]-N-methyl-N-propylbutan-1-amine
CID 176538907
3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
CID 176962601
1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine
CID 134424832
4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole
CID 134484500

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine?
The IUPAC name of (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine (CID 135268704) is (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine.
What is the SMILES notation for (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine?
The canonical SMILES for (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine is C=CN(C)/C(NC)=C(/CC1=CCC(F)C(C(C)F)=C1)C(=C)NC.
What is the InChIKey of (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine?
The InChIKey is FTPYVLDUZNQNPY-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H27F2N3/c1-7-23(6)18(22-5)16(13(3)21-4)11-14-8-9-17(20)15(10-14)12(2)19/h7-8,10,12,17,21-22H,1,3,9,11H2,2,4-6H3/b18-16-.
What are the key properties of (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine?
(1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine has a molecular weight of 323.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N'-ethenyl-2-[[4-fluoro-5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N',3-N-trimethylbuta-1,3-diene-1,1,3-triamine is sourced from PubChem (CID 135268704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).