(1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine

C8H14FNO — CID 146392581

IUPAC(1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine
SMILESCN/C(F)=C\C(OC)=C(C)C
InChIInChI=1S/C8H14FNO/c1-6(2)7(11-4)5-8(9)10-3/h5,10H,1-4H3/b8-5-
InChIKeyBESCGUNYLGNLJE-YVMONPNESA-N
MW159.20 g/mol
LogP1.96
Rot. Bonds3

About (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine

(1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine (PubChem CID 146392581) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine
PubChem CID146392581
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine
SMILESCN/C(F)=C\C(OC)=C(C)C
InChIInChI=1S/C8H14FNO/c1-6(2)7(11-4)5-8(9)10-3/h5,10H,1-4H3/b8-5-
InChIKeyBESCGUNYLGNLJE-YVMONPNESA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-fluoro-4-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206396

Frequently Asked Questions

What is the IUPAC name of (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine (CID 146392581) is (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine is CN/C(F)=C\C(OC)=C(C)C.
What is the InChIKey of (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine?
The InChIKey is BESCGUNYLGNLJE-YVMONPNESA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(2)7(11-4)5-8(9)10-3/h5,10H,1-4H3/b8-5-.
What are the key properties of (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine?
(1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine has a molecular weight of 159.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-fluoro-3-methoxy-N,4-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 146392581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).