(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine

C10H18FN — CID 143696626

IUPAC(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C(F)\C=C(/C)N(C)C
InChIInChI=1S/C10H18FN/c1-6-8(2)10(11)7-9(3)12(4)5/h7H,6H2,1-5H3/b9-7+,10-8+
InChIKeyHYCMGUGSRALQPS-FIFLTTCUSA-N
MW171.26 g/mol
LogP3.11
Rot. Bonds3

About (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine

(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine (PubChem CID 143696626) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
PubChem CID143696626
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C(F)\C=C(/C)N(C)C
InChIInChI=1S/C10H18FN/c1-6-8(2)10(11)7-9(3)12(4)5/h7H,6H2,1-5H3/b9-7+,10-8+
InChIKeyHYCMGUGSRALQPS-FIFLTTCUSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
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,N,5-trimethylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine (CID 143696626) is (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine is CC/C(C)=C(F)\C=C(/C)N(C)C.
What is the InChIKey of (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine?
The InChIKey is HYCMGUGSRALQPS-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H18FN/c1-6-8(2)10(11)7-9(3)12(4)5/h7H,6H2,1-5H3/b9-7+,10-8+.
What are the key properties of (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine?
(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine has a molecular weight of 171.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 143696626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).