(3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine

C8H12FN — CID 174296240

IUPAC(3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C(/F)C(=C)C)NC
InChIInChI=1S/C8H12FN/c1-6(2)8(9)5-7(3)10-4/h5,10H,1,3H2,2,4H3/b8-5+
InChIKeyGZAQONLBKOLBFH-VMPITWQZSA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds3

About (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine

(3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 174296240) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID174296240
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C(/F)C(=C)C)NC
InChIInChI=1S/C8H12FN/c1-6(2)8(9)5-7(3)10-4/h5,10H,1,3H2,2,4H3/b8-5+
InChIKeyGZAQONLBKOLBFH-VMPITWQZSA-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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Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 174296240) is (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(/C=C(/F)C(=C)C)NC.
What is the InChIKey of (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is GZAQONLBKOLBFH-VMPITWQZSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)8(9)5-7(3)10-4/h5,10H,1,3H2,2,4H3/b8-5+.
What are the key properties of (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-N,5-dimethylhexa-1,3,5-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 (3E)-4-fluoro-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 174296240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).