1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

C14H24FNO — CID 129015871

IUPAC1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESCCC(C)/C(F)=C\C1=C(C)C(CNC)OCC1
InChIInChI=1S/C14H24FNO/c1-5-10(2)13(15)8-12-6-7-17-14(9-16-4)11(12)3/h8,10,14,16H,5-7,9H2,1-4H3/b13-8+
InChIKeyIRINCDUVWSHUKJ-MDWZMJQESA-N
MW241.35 g/mol
LogP3.21
Rot. Bonds5

About 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (PubChem CID 129015871) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
PubChem CID129015871
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESCCC(C)/C(F)=C\C1=C(C)C(CNC)OCC1
InChIInChI=1S/C14H24FNO/c1-5-10(2)13(15)8-12-6-7-17-14(9-16-4)11(12)3/h8,10,14,16H,5-7,9H2,1-4H3/b13-8+
InChIKeyIRINCDUVWSHUKJ-MDWZMJQESA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (CID 129015871) is 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is CCC(C)/C(F)=C\C1=C(C)C(CNC)OCC1.
What is the InChIKey of 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The InChIKey is IRINCDUVWSHUKJ-MDWZMJQESA-N. The full InChI is InChI=1S/C14H24FNO/c1-5-10(2)13(15)8-12-6-7-17-14(9-16-4)11(12)3/h8,10,14,16H,5-7,9H2,1-4H3/b13-8+.
What are the key properties of 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine has a molecular weight of 241.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is sourced from PubChem (CID 129015871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).