(NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine

C17H22N3O2+ — CID 135770416

IUPAC(NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
SMILESC[n+]1ccn(COCC2CCCc3ccccc32)c1/C=N\O
InChIInChI=1S/C17H21N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12-13H2,1H3/p+1
InChIKeyHOSCJRGANCGYJR-UHFFFAOYSA-O
MW300.38 g/mol
LogP2.21
Rot. Bonds5

About (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine

(NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine (PubChem CID 135770416) has the molecular formula C17H22N3O2+ and a molecular weight of 300.38 g/mol. Its IUPAC name is (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
PubChem CID135770416
Molecular FormulaC17H22N3O2+
Molecular Weight300.38 g/mol
Exact Mass300.17
IUPAC Name(NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
SMILESC[n+]1ccn(COCC2CCCc3ccccc32)c1/C=N\O
InChIInChI=1S/C17H21N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12-13H2,1H3/p+1
InChIKeyHOSCJRGANCGYJR-UHFFFAOYSA-O
XLogP2.21
TPSA50.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(NE)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 135705523
1-methyl-2-(nitrosomethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium
CID 54131992
(NE)-N-[[1-(buta-2,3-dienoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
CID 135705398
(NZ)-N-[[1-[(E)-4-[2-[(Z)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]but-2-enyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
CID 135589978
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
CID 64573367
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
CID 63771953
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
CID 64551489

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine (CID 135770416) is (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine is C[n+]1ccn(COCC2CCCc3ccccc32)c1/C=N\O.
What is the InChIKey of (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine?
The InChIKey is HOSCJRGANCGYJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12-13H2,1H3/p+1.
What are the key properties of (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine?
(NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine has a molecular weight of 300.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135770416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).