(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine

C8H12FN — CID 142859113

IUPAC(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(/C)NC
InChIInChI=1S/C8H12FN/c1-4-8(9)6-5-7(2)10-3/h4-6,10H,1H2,2-3H3/b7-5+,8-6+
InChIKeyFGVUXZPOSIUKFK-KQQUZDAGSA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds3

About (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine

(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine (PubChem CID 142859113) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine
PubChem CID142859113
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(/C)NC
InChIInChI=1S/C8H12FN/c1-4-8(9)6-5-7(2)10-3/h4-6,10H,1H2,2-3H3/b7-5+,8-6+
InChIKeyFGVUXZPOSIUKFK-KQQUZDAGSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.15
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

(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294
(3E,5E)-5-fluoro-2-N-methylhepta-1,3,5-triene-2,3-diamine
CID 126734944
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(E)-4-fluoro-N-methylbut-2-en-2-amine
CID 129208250
(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine
CID 130336732
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(2E,4Z)-6-fluoro-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
CID 132129417
(2Z)-3-fluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 134365597
(3Z,5E)-5,8-difluoro-N-methylocta-1,3,5-trien-2-amine
CID 134365647

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine (CID 142859113) is (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine is C=C/C(F)=C\C=C(/C)NC.
What is the InChIKey of (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine?
The InChIKey is FGVUXZPOSIUKFK-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-8(9)6-5-7(2)10-3/h4-6,10H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine?
(2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine has a molecular weight of 141.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-N-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 142859113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).