(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine

C21H38FN — CID 135278063

IUPAC(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
SMILESC/C=C\CC(C)NCCCC(C)C(/C=C(\C)F)CCC/C=C/C
InChIInChI=1S/C21H38FN/c1-6-8-10-11-15-21(17-19(4)22)18(3)13-12-16-23-20(5)14-9-7-2/h6-9,17-18,20-21,23H,10-16H2,1-5H3/b8-6+,9-7-,19-17+
InChIKeyQABKRIXNGPQTIP-SIFHOPMVSA-N
MW323.54 g/mol
LogP6.58
Rot. Bonds13

About (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine

(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine (PubChem CID 135278063) has the molecular formula C21H38FN and a molecular weight of 323.54 g/mol. Its IUPAC name is (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine.

Molecular Properties

Compound Name(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
PubChem CID135278063
Molecular FormulaC21H38FN
Molecular Weight323.54 g/mol
Exact Mass323.30
IUPAC Name(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
SMILESC/C=C\CC(C)NCCCC(C)C(/C=C(\C)F)CCC/C=C/C
InChIInChI=1S/C21H38FN/c1-6-8-10-11-15-21(17-19(4)22)18(3)13-12-16-23-20(5)14-9-7-2/h6-9,17-18,20-21,23H,10-16H2,1-5H3/b8-6+,9-7-,19-17+
InChIKeyQABKRIXNGPQTIP-SIFHOPMVSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.54
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine?
The IUPAC name of (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine (CID 135278063) is (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine.
What is the SMILES notation for (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine?
The canonical SMILES for (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine is C/C=C\CC(C)NCCCC(C)C(/C=C(\C)F)CCC/C=C/C.
What is the InChIKey of (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine?
The InChIKey is QABKRIXNGPQTIP-SIFHOPMVSA-N. The full InChI is InChI=1S/C21H38FN/c1-6-8-10-11-15-21(17-19(4)22)18(3)13-12-16-23-20(5)14-9-7-2/h6-9,17-18,20-21,23H,10-16H2,1-5H3/b8-6+,9-7-,19-17+.
What are the key properties of (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine?
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine has a molecular weight of 323.54 g/mol, XLogP of 6.58, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine is sourced from PubChem (CID 135278063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).