(2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine

C11H16FN — CID 143329432

IUPAC(2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C(C)N/C(C)=C/C=C(/F)C(=C)C
InChIInChI=1S/C11H16FN/c1-8(2)11(12)7-6-10(5)13-9(3)4/h6-7,13H,1,3H2,2,4-5H3/b10-6+,11-7+
InChIKeyCRKJBIJKVRDIJI-JMQWPVDRSA-N
MW181.25 g/mol
LogP3.44
Rot. Bonds4

About (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine

(2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine (PubChem CID 143329432) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
PubChem CID143329432
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C(C)N/C(C)=C/C=C(/F)C(=C)C
InChIInChI=1S/C11H16FN/c1-8(2)11(12)7-6-10(5)13-9(3)4/h6-7,13H,1,3H2,2,4-5H3/b10-6+,11-7+
InChIKeyCRKJBIJKVRDIJI-JMQWPVDRSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.44
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)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine (CID 143329432) is (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine is C=C(C)N/C(C)=C/C=C(/F)C(=C)C.
What is the InChIKey of (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
The InChIKey is CRKJBIJKVRDIJI-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)11(12)7-6-10(5)13-9(3)4/h6-7,13H,1,3H2,2,4-5H3/b10-6+,11-7+.
What are the key properties of (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine?
(2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine has a molecular weight of 181.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-6-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143329432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).