(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine

C10H18FNO — CID 134224802

IUPAC(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C(F)=C\C)[C@H](CN(C)C)OC
InChIInChI=1S/C10H18FNO/c1-6-9(11)8(2)10(13-5)7-12(3)4/h6,10H,2,7H2,1,3-5H3/b9-6+/t10-/m0/s1
InChIKeyPNVCIXLCODNMAH-ZKXNXJMVSA-N
MW187.26 g/mol
LogP1.99
Rot. Bonds5

About (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine

(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine (PubChem CID 134224802) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine.

Molecular Properties

Compound Name(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
PubChem CID134224802
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C(F)=C\C)[C@H](CN(C)C)OC
InChIInChI=1S/C10H18FNO/c1-6-9(11)8(2)10(13-5)7-12(3)4/h6,10H,2,7H2,1,3-5H3/b9-6+/t10-/m0/s1
InChIKeyPNVCIXLCODNMAH-ZKXNXJMVSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-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,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
The IUPAC name of (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine (CID 134224802) is (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine.
What is the SMILES notation for (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
The canonical SMILES for (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine is C=C(/C(F)=C\C)[C@H](CN(C)C)OC.
What is the InChIKey of (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
The InChIKey is PNVCIXLCODNMAH-ZKXNXJMVSA-N. The full InChI is InChI=1S/C10H18FNO/c1-6-9(11)8(2)10(13-5)7-12(3)4/h6,10H,2,7H2,1,3-5H3/b9-6+/t10-/m0/s1.
What are the key properties of (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine is sourced from PubChem (CID 134224802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).