2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine

C17H23FN2 — CID 143343306

IUPAC2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC=C1C(=C)C(NCC(/C=C(\C=C/C)CCC)=C\F)=C1N
InChIInChI=1S/C17H23FN2/c1-5-7-14(8-6-2)9-15(10-18)11-20-17-13(4)12(3)16(17)19/h5,7,9-10,20H,3-4,6,8,11,19H2,1-2H3/b7-5-,14-9+,15-10-
InChIKeyKVTAIOGWYYEJKU-YLULXBCISA-N
MW274.38 g/mol
LogP4.03
Rot. Bonds7

About 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine

2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine (PubChem CID 143343306) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
PubChem CID143343306
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC=C1C(=C)C(NCC(/C=C(\C=C/C)CCC)=C\F)=C1N
InChIInChI=1S/C17H23FN2/c1-5-7-14(8-6-2)9-15(10-18)11-20-17-13(4)12(3)16(17)19/h5,7,9-10,20H,3-4,6,8,11,19H2,1-2H3/b7-5-,14-9+,15-10-
InChIKeyKVTAIOGWYYEJKU-YLULXBCISA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-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

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine
CID 126583169
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
(Z,4Z)-N-ethynyl-4-[4-[(1E)-2-fluorobuta-1,3-dienyl]-5-methyl-1,2-dihydropyrrol-3-ylidene]-2-methylbut-1-en-1-amine
CID 137447140
(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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The IUPAC name of 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine (CID 143343306) is 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine.
What is the SMILES notation for 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The canonical SMILES for 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine is C=C1C(=C)C(NCC(/C=C(\C=C/C)CCC)=C\F)=C1N.
What is the InChIKey of 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The InChIKey is KVTAIOGWYYEJKU-YLULXBCISA-N. The full InChI is InChI=1S/C17H23FN2/c1-5-7-14(8-6-2)9-15(10-18)11-20-17-13(4)12(3)16(17)19/h5,7,9-10,20H,3-4,6,8,11,19H2,1-2H3/b7-5-,14-9+,15-10-.
What are the key properties of 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine has a molecular weight of 274.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2Z,3Z,5Z)-2-(fluoromethylidene)-4-propylhepta-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine is sourced from PubChem (CID 143343306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).