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

C10H14FN — CID 130321519

IUPAC(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
SMILESC=CN/C(C)=C/C=C(/F)C(=C)C
InChIInChI=1S/C10H14FN/c1-5-12-9(4)6-7-10(11)8(2)3/h5-7,12H,1-2H2,3-4H3/b9-6+,10-7+
InChIKeyLTCCERXUWFCVHX-KZZDLZNXSA-N
MW167.23 g/mol
LogP3.05
Rot. Bonds4

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

(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine (PubChem CID 130321519) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
PubChem CID130321519
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
SMILESC=CN/C(C)=C/C=C(/F)C(=C)C
InChIInChI=1S/C10H14FN/c1-5-12-9(4)6-7-10(11)8(2)3/h5-7,12H,1-2H2,3-4H3/b9-6+,10-7+
InChIKeyLTCCERXUWFCVHX-KZZDLZNXSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.05
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 (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine (CID 130321519) is (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine is C=CN/C(C)=C/C=C(/F)C(=C)C.
What is the InChIKey of (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine?
The InChIKey is LTCCERXUWFCVHX-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-12-9(4)6-7-10(11)8(2)3/h5-7,12H,1-2H2,3-4H3/b9-6+,10-7+.
What are the key properties of (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine?
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine has a molecular weight of 167.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 130321519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).