1-[(Z)-tetradec-9-enoxy]propylazanium bromide

C17H36BrNO — CID 87671029

IUPAC1-[(Z)-tetradec-9-enoxy]propylazanium bromide
SMILESCCCC/C=C\CCCCCCCCOC([NH3+])CC.[Br-]
InChIInChI=1S/C17H35NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h7-8,17H,3-6,9-16,18H2,1-2H3;1H/b8-7-;
InChIKeyLBNRVDMXGXYBDZ-CFYXSCKTSA-N
MW350.39 g/mol
LogP1.46
Rot. Bonds14

About 1-[(Z)-tetradec-9-enoxy]propylazanium bromide

1-[(Z)-tetradec-9-enoxy]propylazanium bromide (PubChem CID 87671029) has the molecular formula C17H36BrNO and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-[(Z)-tetradec-9-enoxy]propylazanium bromide.

Molecular Properties

Compound Name1-[(Z)-tetradec-9-enoxy]propylazanium bromide
PubChem CID87671029
Molecular FormulaC17H36BrNO
Molecular Weight350.39 g/mol
Exact Mass349.20
IUPAC Name1-[(Z)-tetradec-9-enoxy]propylazanium bromide
SMILESCCCC/C=C\CCCCCCCCOC([NH3+])CC.[Br-]
InChIInChI=1S/C17H35NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h7-8,17H,3-6,9-16,18H2,1-2H3;1H/b8-7-;
InChIKeyLBNRVDMXGXYBDZ-CFYXSCKTSA-N
XLogP1.46
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

16-Ethoxyhexadec-9-en-1-amine
CID 109650
(E)-16-ethoxyhexadec-9-en-1-amine
CID 6437490
(E)-22-ethoxydocos-13-en-1-amine
CID 6450540
2-[(E)-octadec-6-enoxy]ethanamine
CID 139596631
3-Octadeca-9,12-dienoxypropan-1-amine
CID 408914
3-Octadec-9-enoxypropan-1-amine
CID 408915
1-[(E)-tetradec-9-enoxy]propan-1-amine
CID 17927977
18-Ethoxyoctadec-9-en-1-amine
CID 57002472
[(Z)-1-aminooctadec-9-enyl] acetate
CID 87078332
(Z)-1-ethoxyoctadec-9-en-1-amine
CID 87292854
3-[(Z)-octadec-9-enoxy]propan-1-amine
CID 87319460
3-[(Z)-docos-13-enoxy]propan-1-amine
CID 87630741

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-tetradec-9-enoxy]propylazanium bromide?
The IUPAC name of 1-[(Z)-tetradec-9-enoxy]propylazanium bromide (CID 87671029) is 1-[(Z)-tetradec-9-enoxy]propylazanium bromide.
What is the SMILES notation for 1-[(Z)-tetradec-9-enoxy]propylazanium bromide?
The canonical SMILES for 1-[(Z)-tetradec-9-enoxy]propylazanium bromide is CCCC/C=C\CCCCCCCCOC([NH3+])CC.[Br-].
What is the InChIKey of 1-[(Z)-tetradec-9-enoxy]propylazanium bromide?
The InChIKey is LBNRVDMXGXYBDZ-CFYXSCKTSA-N. The full InChI is InChI=1S/C17H35NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h7-8,17H,3-6,9-16,18H2,1-2H3;1H/b8-7-;.
What are the key properties of 1-[(Z)-tetradec-9-enoxy]propylazanium bromide?
1-[(Z)-tetradec-9-enoxy]propylazanium bromide has a molecular weight of 350.39 g/mol, XLogP of 1.46, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-tetradec-9-enoxy]propylazanium bromide is sourced from PubChem (CID 87671029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).