9-[(E)-non-2-enoxy]dec-9-en-1-amine

C19H37NO — CID 162361214

IUPAC9-[(E)-non-2-enoxy]dec-9-en-1-amine
SMILESC=C(CCCCCCCCN)OC/C=C/CCCCCC
InChIInChI=1S/C19H37NO/c1-3-4-5-6-9-12-15-18-21-19(2)16-13-10-7-8-11-14-17-20/h12,15H,2-11,13-14,16-18,20H2,1H3/b15-12+
InChIKeyRQLMGAMTNFDHDF-NTCAYCPXSA-N
MW295.51 g/mol
LogP5.73
Rot. Bonds16

About 9-[(E)-non-2-enoxy]dec-9-en-1-amine

9-[(E)-non-2-enoxy]dec-9-en-1-amine (PubChem CID 162361214) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 9-[(E)-non-2-enoxy]dec-9-en-1-amine.

Molecular Properties

Compound Name9-[(E)-non-2-enoxy]dec-9-en-1-amine
PubChem CID162361214
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name9-[(E)-non-2-enoxy]dec-9-en-1-amine
SMILESC=C(CCCCCCCCN)OC/C=C/CCCCCC
InChIInChI=1S/C19H37NO/c1-3-4-5-6-9-12-15-18-21-19(2)16-13-10-7-8-11-14-17-20/h12,15H,2-11,13-14,16-18,20H2,1H3/b15-12+
InChIKeyRQLMGAMTNFDHDF-NTCAYCPXSA-N
XLogP5.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 9-[(E)-non-2-enoxy]dec-9-en-1-amine?
The IUPAC name of 9-[(E)-non-2-enoxy]dec-9-en-1-amine (CID 162361214) is 9-[(E)-non-2-enoxy]dec-9-en-1-amine.
What is the SMILES notation for 9-[(E)-non-2-enoxy]dec-9-en-1-amine?
The canonical SMILES for 9-[(E)-non-2-enoxy]dec-9-en-1-amine is C=C(CCCCCCCCN)OC/C=C/CCCCCC.
What is the InChIKey of 9-[(E)-non-2-enoxy]dec-9-en-1-amine?
The InChIKey is RQLMGAMTNFDHDF-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-5-6-9-12-15-18-21-19(2)16-13-10-7-8-11-14-17-20/h12,15H,2-11,13-14,16-18,20H2,1H3/b15-12+.
What are the key properties of 9-[(E)-non-2-enoxy]dec-9-en-1-amine?
9-[(E)-non-2-enoxy]dec-9-en-1-amine has a molecular weight of 295.51 g/mol, XLogP of 5.73, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-non-2-enoxy]dec-9-en-1-amine is sourced from PubChem (CID 162361214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).