(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide

C19H37NO — CID 102116456

IUPAC(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide
SMILESCC/C=C/CCCC[N+]([O-])(CCC)CCCC/C=C/CC
InChIInChI=1S/C19H37NO/c1-4-7-9-11-13-15-18-20(21,17-6-3)19-16-14-12-10-8-5-2/h7-10H,4-6,11-19H2,1-3H3/b9-7+,10-8+
InChIKeyXDHOBXYJTUCQKZ-FIFLTTCUSA-N
MW295.51 g/mol
LogP5.98
Rot. Bonds14

About (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide

(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide (PubChem CID 102116456) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide.

Molecular Properties

Compound Name(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide
PubChem CID102116456
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide
SMILESCC/C=C/CCCC[N+]([O-])(CCC)CCCC/C=C/CC
InChIInChI=1S/C19H37NO/c1-4-7-9-11-13-15-18-20(21,17-6-3)19-16-14-12-10-8-5-2/h7-10H,4-6,11-19H2,1-3H3/b9-7+,10-8+
InChIKeyXDHOBXYJTUCQKZ-FIFLTTCUSA-N
XLogP5.98
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methyl-tris[(E)-oct-5-enyl]azanium
CID 102116312
(E)-non-3-ene
CID 5364445
(3E,16E)-nonadeca-3,16-diene
CID 157471321
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
magnesium;(Z)-non-3-ene;dichloride
CID 174157517
N,N,N',N'-tetrabutyldecane-1,10-diamine oxide
CID 102443929

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide?
The IUPAC name of (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide (CID 102116456) is (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide.
What is the SMILES notation for (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide?
The canonical SMILES for (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide is CC/C=C/CCCC[N+]([O-])(CCC)CCCC/C=C/CC.
What is the InChIKey of (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide?
The InChIKey is XDHOBXYJTUCQKZ-FIFLTTCUSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-7-9-11-13-15-18-20(21,17-6-3)19-16-14-12-10-8-5-2/h7-10H,4-6,11-19H2,1-3H3/b9-7+,10-8+.
What are the key properties of (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide?
(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide has a molecular weight of 295.51 g/mol, XLogP of 5.98, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide is sourced from PubChem (CID 102116456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).