4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine

C8H14FNO — CID 142279496

IUPAC4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine
SMILESC=C(F)C(=C)C(CNC)OC
InChIInChI=1S/C8H14FNO/c1-6(7(2)9)8(11-4)5-10-3/h8,10H,1-2,5H2,3-4H3
InChIKeyKAUWJWVIDPWBAZ-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.26
Rot. Bonds5

About 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine

4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine (PubChem CID 142279496) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine
PubChem CID142279496
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine
SMILESC=C(F)C(=C)C(CNC)OC
InChIInChI=1S/C8H14FNO/c1-6(7(2)9)8(11-4)5-10-3/h8,10H,1-2,5H2,3-4H3
InChIKeyKAUWJWVIDPWBAZ-UHFFFAOYSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine?
The IUPAC name of 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine (CID 142279496) is 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine.
What is the SMILES notation for 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine?
The canonical SMILES for 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine is C=C(F)C(=C)C(CNC)OC.
What is the InChIKey of 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine?
The InChIKey is KAUWJWVIDPWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(7(2)9)8(11-4)5-10-3/h8,10H,1-2,5H2,3-4H3.
What are the key properties of 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine?
4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine has a molecular weight of 159.20 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-methyl-3-methylidenepent-4-en-1-amine is sourced from PubChem (CID 142279496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).