(Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine

C23H32FN — CID 88998059

IUPAC(Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine
SMILESC=C(C(C)NC(=C)[C@H]1C[C@@H]1c1cc(F)ccc1C)[C@H](C)C/C(C)=C\C
InChIInChI=1S/C23H32FN/c1-8-14(2)11-16(4)17(5)18(6)25-19(7)22-13-23(22)21-12-20(24)10-9-15(21)3/h8-10,12,16,18,22-23,25H,5,7,11,13H2,1-4,6H3/b14-8-/t16-,18?,22-,23-/m1/s1
InChIKeyDIGQPIBKNKFFLH-FRZWUXAGSA-N
MW341.51 g/mol
LogP6.28
Rot. Bonds8

About (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine

(Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine (PubChem CID 88998059) has the molecular formula C23H32FN and a molecular weight of 341.51 g/mol. Its IUPAC name is (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine.

Molecular Properties

Compound Name(Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine
PubChem CID88998059
Molecular FormulaC23H32FN
Molecular Weight341.51 g/mol
Exact Mass341.25
IUPAC Name(Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine
SMILESC=C(C(C)NC(=C)[C@H]1C[C@@H]1c1cc(F)ccc1C)[C@H](C)C/C(C)=C\C
InChIInChI=1S/C23H32FN/c1-8-14(2)11-16(4)17(5)18(6)25-19(7)22-13-23(22)21-12-20(24)10-9-15(21)3/h8-10,12,16,18,22-23,25H,5,7,11,13H2,1-4,6H3/b14-8-/t16-,18?,22-,23-/m1/s1
InChIKeyDIGQPIBKNKFFLH-FRZWUXAGSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.51
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine?
The IUPAC name of (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine (CID 88998059) is (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine.
What is the SMILES notation for (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine?
The canonical SMILES for (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine is C=C(C(C)NC(=C)[C@H]1C[C@@H]1c1cc(F)ccc1C)[C@H](C)C/C(C)=C\C.
What is the InChIKey of (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine?
The InChIKey is DIGQPIBKNKFFLH-FRZWUXAGSA-N. The full InChI is InChI=1S/C23H32FN/c1-8-14(2)11-16(4)17(5)18(6)25-19(7)22-13-23(22)21-12-20(24)10-9-15(21)3/h8-10,12,16,18,22-23,25H,5,7,11,13H2,1-4,6H3/b14-8-/t16-,18?,22-,23-/m1/s1.
What are the key properties of (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine?
(Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine has a molecular weight of 341.51 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-N-[1-[(1S,2S)-2-(5-fluoro-2-methylphenyl)cyclopropyl]ethenyl]-4,6-dimethyl-3-methylideneoct-6-en-2-amine is sourced from PubChem (CID 88998059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).