(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine

C15H26FN — CID 126583190

IUPAC(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
SMILESCCC(C)C=CNC/C=C\C(F)=C/C(C)CC
InChIInChI=1S/C15H26FN/c1-5-13(3)9-11-17-10-7-8-15(16)12-14(4)6-2/h7-9,11-14,17H,5-6,10H2,1-4H3/b8-7-,11-9?,15-12+
InChIKeyOENJLKIERPRMHX-QVODSAEJSA-N
MW239.38 g/mol
LogP4.59
Rot. Bonds8

About (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine

(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine (PubChem CID 126583190) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
PubChem CID126583190
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
SMILESCCC(C)C=CNC/C=C\C(F)=C/C(C)CC
InChIInChI=1S/C15H26FN/c1-5-13(3)9-11-17-10-7-8-15(16)12-14(4)6-2/h7-9,11-14,17H,5-6,10H2,1-4H3/b8-7-,11-9?,15-12+
InChIKeyOENJLKIERPRMHX-QVODSAEJSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
4-Ethyl-2-fluoro-1,2-dihydropyridine
CID 118478905
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
CID 118657074
(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
CID 129146420
(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
CID 130233741
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 139543830
(3E,5E,7Z,9E)-5,8-dimethyl-4-(trifluoromethyl)-1,2-dihydroazecine;ethene
CID 141766510
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
CID 142367099
(1E,3Z,5Z)-2-fluoro-4-propan-2-ylhepta-1,3,5-trien-1-amine
CID 146220762
(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 146499180
4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 146550589

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine (CID 126583190) is (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine is CCC(C)C=CNC/C=C\C(F)=C/C(C)CC.
What is the InChIKey of (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine?
The InChIKey is OENJLKIERPRMHX-QVODSAEJSA-N. The full InChI is InChI=1S/C15H26FN/c1-5-13(3)9-11-17-10-7-8-15(16)12-14(4)6-2/h7-9,11-14,17H,5-6,10H2,1-4H3/b8-7-,11-9?,15-12+.
What are the key properties of (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine?
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine has a molecular weight of 239.38 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine is sourced from PubChem (CID 126583190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).