(E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine

C23H47NO — CID 134568846

IUPAC(E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine
SMILESCC/C=C/C(CC)CCC(CC)CC(CC)CCC(C)NOCCC
InChIInChI=1S/C23H47NO/c1-7-12-13-21(9-3)16-17-23(11-5)19-22(10-4)15-14-20(6)24-25-18-8-2/h12-13,20-24H,7-11,14-19H2,1-6H3/b13-12+
InChIKeyRIYDAHPDIOFHQI-OUKQBFOZSA-N
MW353.64 g/mol
LogP7.30
Rot. Bonds17

About (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine

(E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine (PubChem CID 134568846) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine.

Molecular Properties

Compound Name(E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine
PubChem CID134568846
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name(E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine
SMILESCC/C=C/C(CC)CCC(CC)CC(CC)CCC(C)NOCCC
InChIInChI=1S/C23H47NO/c1-7-12-13-21(9-3)16-17-23(11-5)19-22(10-4)15-14-20(6)24-25-18-8-2/h12-13,20-24H,7-11,14-19H2,1-6H3/b13-12+
InChIKeyRIYDAHPDIOFHQI-OUKQBFOZSA-N
XLogP7.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.30
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine?
The IUPAC name of (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine (CID 134568846) is (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine.
What is the SMILES notation for (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine?
The canonical SMILES for (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine is CC/C=C/C(CC)CCC(CC)CC(CC)CCC(C)NOCCC.
What is the InChIKey of (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine?
The InChIKey is RIYDAHPDIOFHQI-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H47NO/c1-7-12-13-21(9-3)16-17-23(11-5)19-22(10-4)15-14-20(6)24-25-18-8-2/h12-13,20-24H,7-11,14-19H2,1-6H3/b13-12+.
What are the key properties of (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine?
(E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine has a molecular weight of 353.64 g/mol, XLogP of 7.30, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,7,10-triethyl-N-propoxytetradec-11-en-2-amine is sourced from PubChem (CID 134568846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).