(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine

C13H24FNO — CID 174194590

IUPAC(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine
SMILESCN[C@H](C)CC/C=C(OC)\C(F)=C/C(C)C
InChIInChI=1S/C13H24FNO/c1-10(2)9-12(14)13(16-5)8-6-7-11(3)15-4/h8-11,15H,6-7H2,1-5H3/b12-9+,13-8+/t11-/m1/s1
InChIKeyRHZMJJOYTNLHSW-GBFROCIZSA-N
MW229.34 g/mol
LogP3.41
Rot. Bonds7

About (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine

(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine (PubChem CID 174194590) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine.

Molecular Properties

Compound Name(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine
PubChem CID174194590
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine
SMILESCN[C@H](C)CC/C=C(OC)\C(F)=C/C(C)C
InChIInChI=1S/C13H24FNO/c1-10(2)9-12(14)13(16-5)8-6-7-11(3)15-4/h8-11,15H,6-7H2,1-5H3/b12-9+,13-8+/t11-/m1/s1
InChIKeyRHZMJJOYTNLHSW-GBFROCIZSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-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 (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine?
The IUPAC name of (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine (CID 174194590) is (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine.
What is the SMILES notation for (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine?
The canonical SMILES for (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine is CN[C@H](C)CC/C=C(OC)\C(F)=C/C(C)C.
What is the InChIKey of (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine?
The InChIKey is RHZMJJOYTNLHSW-GBFROCIZSA-N. The full InChI is InChI=1S/C13H24FNO/c1-10(2)9-12(14)13(16-5)8-6-7-11(3)15-4/h8-11,15H,6-7H2,1-5H3/b12-9+,13-8+/t11-/m1/s1.
What are the key properties of (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine?
(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine has a molecular weight of 229.34 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine is sourced from PubChem (CID 174194590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).