(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one

C28H55NO — CID 138715096

IUPAC(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one
SMILESCCCCCCCC/C=C\CCCCCCCC(CCC)CC(=O)CCCNCC
InChIInChI=1S/C28H55NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(22-5-2)26-28(30)24-21-25-29-6-3/h13-14,27,29H,4-12,15-26H2,1-3H3/b14-13-
InChIKeyUNXCBRFQBZFBLU-YPKPFQOOSA-N
MW421.75 g/mol
LogP8.79
Rot. Bonds24

About (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one

(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one (PubChem CID 138715096) has the molecular formula C28H55NO and a molecular weight of 421.75 g/mol. Its IUPAC name is (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one.

Molecular Properties

Compound Name(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one
PubChem CID138715096
Molecular FormulaC28H55NO
Molecular Weight421.75 g/mol
Exact Mass421.43
IUPAC Name(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one
SMILESCCCCCCCC/C=C\CCCCCCCC(CCC)CC(=O)CCCNCC
InChIInChI=1S/C28H55NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(22-5-2)26-28(30)24-21-25-29-6-3/h13-14,27,29H,4-12,15-26H2,1-3H3/b14-13-
InChIKeyUNXCBRFQBZFBLU-YPKPFQOOSA-N
XLogP8.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one?
The IUPAC name of (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one (CID 138715096) is (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one.
What is the SMILES notation for (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one?
The canonical SMILES for (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one is CCCCCCCC/C=C\CCCCCCCC(CCC)CC(=O)CCCNCC.
What is the InChIKey of (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one?
The InChIKey is UNXCBRFQBZFBLU-YPKPFQOOSA-N. The full InChI is InChI=1S/C28H55NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(22-5-2)26-28(30)24-21-25-29-6-3/h13-14,27,29H,4-12,15-26H2,1-3H3/b14-13-.
What are the key properties of (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one?
(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one has a molecular weight of 421.75 g/mol, XLogP of 8.79, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(ethylamino)-6-propyltricos-14-en-4-one is sourced from PubChem (CID 138715096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).