N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine

C8H13NO2 — CID 144703329

IUPACN-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine
SMILESC=C/C=C(\C=C/NO)OCC
InChIInChI=1S/C8H13NO2/c1-3-5-8(11-4-2)6-7-9-10/h3,5-7,9-10H,1,4H2,2H3/b7-6-,8-5+
InChIKeyRYCSJXKDIRWCEZ-WNXMRAAYSA-N
MW155.20 g/mol
LogP1.59
Rot. Bonds5

About N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine

N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine (PubChem CID 144703329) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine
PubChem CID144703329
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine
SMILESC=C/C=C(\C=C/NO)OCC
InChIInChI=1S/C8H13NO2/c1-3-5-8(11-4-2)6-7-9-10/h3,5-7,9-10H,1,4H2,2H3/b7-6-,8-5+
InChIKeyRYCSJXKDIRWCEZ-WNXMRAAYSA-N
XLogP1.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z)-5-(3-methoxypropoxy)hexa-1,3,5-trien-1-amine
CID 88274497
(1Z,3E)-4-methoxyhexa-1,3,5-trien-1-amine
CID 89034464
(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine
CID 89143649
(1Z,3E)-3-methoxyhexa-1,3,5-trien-1-amine
CID 89143709
(1Z,3E)-3-butoxy-1-nitrosohexa-1,3,5-triene
CID 89366755
(1Z,3E)-3-methoxypenta-1,3-dien-1-amine
CID 129113130
(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine
CID 138710993
[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]-hydroxyazanium
CID 144703328
ethane;(1Z,3E)-3-methoxyhexa-1,3,5-trien-1-amine
CID 144746928
(1Z,3Z,5E)-2,6-dimethoxyhepta-1,3,5-trien-1-amine
CID 153559740
2H-oxazine;2H-pyran
CID 157407679

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine?
The IUPAC name of N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine (CID 144703329) is N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine.
What is the SMILES notation for N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine?
The canonical SMILES for N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine is C=C/C=C(\C=C/NO)OCC.
What is the InChIKey of N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine?
The InChIKey is RYCSJXKDIRWCEZ-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-8(11-4-2)6-7-9-10/h3,5-7,9-10H,1,4H2,2H3/b7-6-,8-5+.
What are the key properties of N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine?
N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine has a molecular weight of 155.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]hydroxylamine is sourced from PubChem (CID 144703329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).