(2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine

C9H15FN2 — CID 146288750

IUPAC(2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine
SMILESC=C(F)/C(=C\C(C)=C(\C)N)NC
InChIInChI=1S/C9H15FN2/c1-6(8(3)11)5-9(12-4)7(2)10/h5,12H,2,11H2,1,3-4H3/b8-6-,9-5+
InChIKeyCIDABENLAYFAIT-POEMVANMSA-N
MW170.23 g/mol
LogP1.83
Rot. Bonds3

About (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine

(2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine (PubChem CID 146288750) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine
PubChem CID146288750
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name(2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine
SMILESC=C(F)/C(=C\C(C)=C(\C)N)NC
InChIInChI=1S/C9H15FN2/c1-6(8(3)11)5-9(12-4)7(2)10/h5,12H,2,11H2,1,3-4H3/b8-6-,9-5+
InChIKeyCIDABENLAYFAIT-POEMVANMSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine?
The IUPAC name of (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine (CID 146288750) is (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine.
What is the SMILES notation for (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine?
The canonical SMILES for (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine is C=C(F)/C(=C\C(C)=C(\C)N)NC.
What is the InChIKey of (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine?
The InChIKey is CIDABENLAYFAIT-POEMVANMSA-N. The full InChI is InChI=1S/C9H15FN2/c1-6(8(3)11)5-9(12-4)7(2)10/h5,12H,2,11H2,1,3-4H3/b8-6-,9-5+.
What are the key properties of (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine?
(2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine has a molecular weight of 170.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-fluoro-5-N,3-dimethylhepta-2,4,6-triene-2,5-diamine is sourced from PubChem (CID 146288750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).