(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium

C17H34N4O2 — CID 88575351

IUPAC(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium
SMILESCCN(/[N+]([O-])=N/OC1CCN(C2CCCCC2)CC1)C(C)(C)C
InChIInChI=1S/C17H34N4O2/c1-5-20(17(2,3)4)21(22)18-23-16-11-13-19(14-12-16)15-9-7-6-8-10-15/h15-16H,5-14H2,1-4H3/b21-18-
InChIKeyQKNIKLHALFFHOG-UZYVYHOESA-N
MW326.49 g/mol
LogP3.71
Rot. Bonds5

About (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium

(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium (PubChem CID 88575351) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium
PubChem CID88575351
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium
SMILESCCN(/[N+]([O-])=N/OC1CCN(C2CCCCC2)CC1)C(C)(C)C
InChIInChI=1S/C17H34N4O2/c1-5-20(17(2,3)4)21(22)18-23-16-11-13-19(14-12-16)15-9-7-6-8-10-15/h15-16H,5-14H2,1-4H3/b21-18-
InChIKeyQKNIKLHALFFHOG-UZYVYHOESA-N
XLogP3.71
TPSA54.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium?
The IUPAC name of (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium (CID 88575351) is (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium?
The canonical SMILES for (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium is CCN(/[N+]([O-])=N/OC1CCN(C2CCCCC2)CC1)C(C)(C)C.
What is the InChIKey of (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium?
The InChIKey is QKNIKLHALFFHOG-UZYVYHOESA-N. The full InChI is InChI=1S/C17H34N4O2/c1-5-20(17(2,3)4)21(22)18-23-16-11-13-19(14-12-16)15-9-7-6-8-10-15/h15-16H,5-14H2,1-4H3/b21-18-.
What are the key properties of (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium?
(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium has a molecular weight of 326.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium is sourced from PubChem (CID 88575351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).