2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine

C37H73NO2 — CID 53497376

IUPAC2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine
SMILESCCCCCC/C=C\CCCCCCCCOCCN(C)CCOCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C37H73NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-39-36-32-38(3)33-37-40-35-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h14-17H,4-13,18-37H2,1-3H3/b16-14-,17-15-
InChIKeyVNAYNYLMGVVNPX-RYOQUFEFSA-N
MW564.00 g/mol
LogP11.47
Rot. Bonds34

About 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine

2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine (PubChem CID 53497376) has the molecular formula C37H73NO2 and a molecular weight of 564.00 g/mol. Its IUPAC name is 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine
PubChem CID53497376
Molecular FormulaC37H73NO2
Molecular Weight564.00 g/mol
Exact Mass563.56
IUPAC Name2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine
SMILESCCCCCC/C=C\CCCCCCCCOCCN(C)CCOCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C37H73NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-39-36-32-38(3)33-37-40-35-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h14-17H,4-13,18-37H2,1-3H3/b16-14-,17-15-
InChIKeyVNAYNYLMGVVNPX-RYOQUFEFSA-N
XLogP11.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.00
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine?
The IUPAC name of 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine (CID 53497376) is 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine.
What is the SMILES notation for 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine?
The canonical SMILES for 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine is CCCCCC/C=C\CCCCCCCCOCCN(C)CCOCCCCCCCC/C=C\CCCCCC.
What is the InChIKey of 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine?
The InChIKey is VNAYNYLMGVVNPX-RYOQUFEFSA-N. The full InChI is InChI=1S/C37H73NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-39-36-32-38(3)33-37-40-35-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h14-17H,4-13,18-37H2,1-3H3/b16-14-,17-15-.
What are the key properties of 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine?
2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine has a molecular weight of 564.00 g/mol, XLogP of 11.47, 34 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hexadec-9-enoxy]-N-[2-[(Z)-hexadec-9-enoxy]ethyl]-N-methylethanamine is sourced from PubChem (CID 53497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).