(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine

C11H18FN — CID 176934801

IUPAC(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C(F)\C=C(/C)NC)C(C)C
InChIInChI=1S/C11H18FN/c1-6-10(8(2)3)11(12)7-9(4)13-5/h6-8,13H,1H2,2-5H3/b9-7+,11-10-
InChIKeyRNMBFXIIHKPZCU-GLYMIEGHSA-N
MW183.27 g/mol
LogP3.18
Rot. Bonds4

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

(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine (PubChem CID 176934801) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine
PubChem CID176934801
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C(F)\C=C(/C)NC)C(C)C
InChIInChI=1S/C11H18FN/c1-6-10(8(2)3)11(12)7-9(4)13-5/h6-8,13H,1H2,2-5H3/b9-7+,11-10-
InChIKeyRNMBFXIIHKPZCU-GLYMIEGHSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.18
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)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine (CID 176934801) is (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine is C=C/C(=C(F)\C=C(/C)NC)C(C)C.
What is the InChIKey of (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine?
The InChIKey is RNMBFXIIHKPZCU-GLYMIEGHSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-10(8(2)3)11(12)7-9(4)13-5/h6-8,13H,1H2,2-5H3/b9-7+,11-10-.
What are the key properties of (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine?
(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 176934801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).