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

C10H18FNO — CID 134224799

IUPAC(E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C(F)=C\C)C(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+
InChIKeyPNVCIXLCODNMAH-RMKNXTFCSA-N
MW187.26 g/mol
LogP1.99
Rot. Bonds5

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

(E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine (PubChem CID 134224799) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine.

Molecular Properties

Compound Name(E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
PubChem CID134224799
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C(F)=C\C)C(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+
InChIKeyPNVCIXLCODNMAH-RMKNXTFCSA-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'}

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Related Compounds

(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
CID 134224802
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylmethanamine
CID 142279528
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
CID 143227719
4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine
CID 168999063

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
The IUPAC name of (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine (CID 134224799) is (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine.
What is the SMILES notation for (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
The canonical SMILES for (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine is C=C(/C(F)=C\C)C(CN(C)C)OC.
What is the InChIKey of (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
The InChIKey is PNVCIXLCODNMAH-RMKNXTFCSA-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+.
What are the key properties of (E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine?
(E)-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)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine is sourced from PubChem (CID 134224799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).