(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine

C11H18FN — CID 126669258

IUPAC(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine
SMILESC/C=C(F)\C=C(/C=C\N)C(C)(C)C
InChIInChI=1S/C11H18FN/c1-5-10(12)8-9(6-7-13)11(2,3)4/h5-8H,13H2,1-4H3/b7-6-,9-8+,10-5+
InChIKeyMDDKCBMNHFJOCZ-IICOLZRNSA-N
MW183.27 g/mol
LogP3.30
Rot. Bonds2

About (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine

(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine (PubChem CID 126669258) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine
PubChem CID126669258
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine
SMILESC/C=C(F)\C=C(/C=C\N)C(C)(C)C
InChIInChI=1S/C11H18FN/c1-5-10(12)8-9(6-7-13)11(2,3)4/h5-8H,13H2,1-4H3/b7-6-,9-8+,10-5+
InChIKeyMDDKCBMNHFJOCZ-IICOLZRNSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.30
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 (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine (CID 126669258) is (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine is C/C=C(F)\C=C(/C=C\N)C(C)(C)C.
What is the InChIKey of (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine?
The InChIKey is MDDKCBMNHFJOCZ-IICOLZRNSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-10(12)8-9(6-7-13)11(2,3)4/h5-8H,13H2,1-4H3/b7-6-,9-8+,10-5+.
What are the key properties of (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine?
(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 126669258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).