N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine

C18H26FN — CID 126583169

IUPACN-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine
SMILESC=C(/C=C\C)/C=C\C(=C/C/C=C(\C)F)CNC1CCC1
InChIInChI=1S/C18H26FN/c1-4-7-15(2)12-13-17(9-5-8-16(3)19)14-20-18-10-6-11-18/h4,7-9,12-13,18,20H,2,5-6,10-11,14H2,1,3H3/b7-4-,13-12-,16-8+,17-9+
InChIKeyGWNQZQCSHCDVQE-BEIKQEIZSA-N
MW275.41 g/mol
LogP5.01
Rot. Bonds8

About N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine

N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine (PubChem CID 126583169) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine
PubChem CID126583169
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine
SMILESC=C(/C=C\C)/C=C\C(=C/C/C=C(\C)F)CNC1CCC1
InChIInChI=1S/C18H26FN/c1-4-7-15(2)12-13-17(9-5-8-16(3)19)14-20-18-10-6-11-18/h4,7-9,12-13,18,20H,2,5-6,10-11,14H2,1,3H3/b7-4-,13-12-,16-8+,17-9+
InChIKeyGWNQZQCSHCDVQE-BEIKQEIZSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(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
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine
CID 142256481
(3E)-3-ethenyl-4-fluoro-N-propan-2-ylhexa-3,5-dien-1-amine
CID 142256508
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
CID 142464980
4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
CID 143002647
(3Z)-4-(1,1-difluoroethyl)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine;ethane
CID 143342855
4-Ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
CID 143839456
5-Ethenyl-4-(1-fluoroethenyl)-6-methyl-1,2,3,6-tetrahydropyridine
CID 143839490

Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine?
The IUPAC name of N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine (CID 126583169) is N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine.
What is the SMILES notation for N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine?
The canonical SMILES for N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine is C=C(/C=C\C)/C=C\C(=C/C/C=C(\C)F)CNC1CCC1.
What is the InChIKey of N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine?
The InChIKey is GWNQZQCSHCDVQE-BEIKQEIZSA-N. The full InChI is InChI=1S/C18H26FN/c1-4-7-15(2)12-13-17(9-5-8-16(3)19)14-20-18-10-6-11-18/h4,7-9,12-13,18,20H,2,5-6,10-11,14H2,1,3H3/b7-4-,13-12-,16-8+,17-9+.
What are the key properties of N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine?
N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine has a molecular weight of 275.41 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine is sourced from PubChem (CID 126583169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).