(NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine

C20H26N4O4+2 — CID 135765047

IUPAC(NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
SMILESO/N=C\c1cc[n+](COC2CCC(OC[n+]3ccc(/C=N\O)cc3)CC2)cc1
InChIInChI=1S/C20H24N4O4/c25-21-13-17-5-9-23(10-6-17)15-27-19-1-2-20(4-3-19)28-16-24-11-7-18(8-12-24)14-22-26/h5-14,19-20H,1-4,15-16H2/p+2
InChIKeyOVBZLLSOLKYJBH-UHFFFAOYSA-P
MW386.45 g/mol
LogP1.84
Rot. Bonds8

About (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine

(NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine (PubChem CID 135765047) has the molecular formula C20H26N4O4+2 and a molecular weight of 386.45 g/mol. Its IUPAC name is (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
PubChem CID135765047
Molecular FormulaC20H26N4O4+2
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name(NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
SMILESO/N=C\c1cc[n+](COC2CCC(OC[n+]3ccc(/C=N\O)cc3)CC2)cc1
InChIInChI=1S/C20H24N4O4/c25-21-13-17-5-9-23(10-6-17)15-27-19-1-2-20(4-3-19)28-16-24-11-7-18(8-12-24)14-22-26/h5-14,19-20H,1-4,15-16H2/p+2
InChIKeyOVBZLLSOLKYJBH-UHFFFAOYSA-P
XLogP1.84
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine with MolForge

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Related Compounds

(NE)-N-[[1-[[4-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dichloride
CID 135925449
(NZ)-N-[[1-[10-[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135765137
(NE)-N-[[1-[2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine bromide
CID 137093036
(NE)-N-[[1-[8-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide
CID 135878482
(NE)-N-[[1-[10-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide
CID 135914413
hydrogen sulfate;(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135928232
(NZ)-N-[[1-[(E)-4-[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]but-2-enyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135754279
(NE)-N-[[1-[2-[2-[2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethoxy]ethoxy]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135898036
(NE)-N-[(1-ethylpyridin-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 137086779
1-[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]-2,2-dimethylpropan-1-one diiodide
CID 135867725
N-[[1-[2-(dimethylamino)ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 5167663
N-[[1-(3-bromopropyl)pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 136745960

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine (CID 135765047) is (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine is O/N=C\c1cc[n+](COC2CCC(OC[n+]3ccc(/C=N\O)cc3)CC2)cc1.
What is the InChIKey of (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine?
The InChIKey is OVBZLLSOLKYJBH-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H24N4O4/c25-21-13-17-5-9-23(10-6-17)15-27-19-1-2-20(4-3-19)28-16-24-11-7-18(8-12-24)14-22-26/h5-14,19-20H,1-4,15-16H2/p+2.
What are the key properties of (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine?
(NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine has a molecular weight of 386.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[1-[[4-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135765047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).