(E)-5-fluoro-4-methyliminohex-2-en-2-amine

C7H13FN2 — CID 172586650

IUPAC(E)-5-fluoro-4-methyliminohex-2-en-2-amine
SMILESC/N=C(/C=C(\C)N)C(C)F
InChIInChI=1S/C7H13FN2/c1-5(9)4-7(10-3)6(2)8/h4,6H,9H2,1-3H3/b5-4+,10-7-
InChIKeyDDTYTNLHSBVFJJ-PCOCSGSJSA-N
MW144.19 g/mol
LogP1.28
Rot. Bonds2

About (E)-5-fluoro-4-methyliminohex-2-en-2-amine

(E)-5-fluoro-4-methyliminohex-2-en-2-amine (PubChem CID 172586650) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (E)-5-fluoro-4-methyliminohex-2-en-2-amine.

Molecular Properties

Compound Name(E)-5-fluoro-4-methyliminohex-2-en-2-amine
PubChem CID172586650
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(E)-5-fluoro-4-methyliminohex-2-en-2-amine
SMILESC/N=C(/C=C(\C)N)C(C)F
InChIInChI=1S/C7H13FN2/c1-5(9)4-7(10-3)6(2)8/h4,6H,9H2,1-3H3/b5-4+,10-7-
InChIKeyDDTYTNLHSBVFJJ-PCOCSGSJSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-5-fluoro-4-methyliminohex-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-4-methyliminohex-2-en-2-amine?
The IUPAC name of (E)-5-fluoro-4-methyliminohex-2-en-2-amine (CID 172586650) is (E)-5-fluoro-4-methyliminohex-2-en-2-amine.
What is the SMILES notation for (E)-5-fluoro-4-methyliminohex-2-en-2-amine?
The canonical SMILES for (E)-5-fluoro-4-methyliminohex-2-en-2-amine is C/N=C(/C=C(\C)N)C(C)F.
What is the InChIKey of (E)-5-fluoro-4-methyliminohex-2-en-2-amine?
The InChIKey is DDTYTNLHSBVFJJ-PCOCSGSJSA-N. The full InChI is InChI=1S/C7H13FN2/c1-5(9)4-7(10-3)6(2)8/h4,6H,9H2,1-3H3/b5-4+,10-7-.
What are the key properties of (E)-5-fluoro-4-methyliminohex-2-en-2-amine?
(E)-5-fluoro-4-methyliminohex-2-en-2-amine has a molecular weight of 144.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-4-methyliminohex-2-en-2-amine is sourced from PubChem (CID 172586650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).