2-[(Z)-hexadec-9-enoxy]ethanamine

C18H37NO — CID 175586211

IUPAC2-[(Z)-hexadec-9-enoxy]ethanamine
SMILESCCCCCC/C=C\CCCCCCCCOCCN
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h7-8H,2-6,9-19H2,1H3/b8-7-
InChIKeyMNDPRNRNSLGEEZ-FPLPWBNLSA-N
MW283.50 g/mol
LogP5.22
Rot. Bonds16

About 2-[(Z)-hexadec-9-enoxy]ethanamine

2-[(Z)-hexadec-9-enoxy]ethanamine (PubChem CID 175586211) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[(Z)-hexadec-9-enoxy]ethanamine.

Molecular Properties

Compound Name2-[(Z)-hexadec-9-enoxy]ethanamine
PubChem CID175586211
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-[(Z)-hexadec-9-enoxy]ethanamine
SMILESCCCCCC/C=C\CCCCCCCCOCCN
InChIInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h7-8H,2-6,9-19H2,1H3/b8-7-
InChIKeyMNDPRNRNSLGEEZ-FPLPWBNLSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.22
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 2-[(Z)-hexadec-9-enoxy]ethanamine?
The IUPAC name of 2-[(Z)-hexadec-9-enoxy]ethanamine (CID 175586211) is 2-[(Z)-hexadec-9-enoxy]ethanamine.
What is the SMILES notation for 2-[(Z)-hexadec-9-enoxy]ethanamine?
The canonical SMILES for 2-[(Z)-hexadec-9-enoxy]ethanamine is CCCCCC/C=C\CCCCCCCCOCCN.
What is the InChIKey of 2-[(Z)-hexadec-9-enoxy]ethanamine?
The InChIKey is MNDPRNRNSLGEEZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h7-8H,2-6,9-19H2,1H3/b8-7-.
What are the key properties of 2-[(Z)-hexadec-9-enoxy]ethanamine?
2-[(Z)-hexadec-9-enoxy]ethanamine has a molecular weight of 283.50 g/mol, XLogP of 5.22, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hexadec-9-enoxy]ethanamine is sourced from PubChem (CID 175586211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).