N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide

C16H26N4O3 — CID 134402813

IUPACN-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
SMILESCCN(C)C(=O)OCc1nc(C)c(/C=[N+](\[O-])C(C)(C)C)nc1C
InChIInChI=1S/C16H26N4O3/c1-8-19(7)15(21)23-10-14-12(3)17-13(11(2)18-14)9-20(22)16(4,5)6/h9H,8,10H2,1-7H3/b20-9-
InChIKeyFSQZWGUUZHFVAC-UKWGHVSLSA-N
MW322.41 g/mol
LogP2.41
Rot. Bonds4

About N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide

N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide (PubChem CID 134402813) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
PubChem CID134402813
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
SMILESCCN(C)C(=O)OCc1nc(C)c(/C=[N+](\[O-])C(C)(C)C)nc1C
InChIInChI=1S/C16H26N4O3/c1-8-19(7)15(21)23-10-14-12(3)17-13(11(2)18-14)9-20(22)16(4,5)6/h9H,8,10H2,1-7H3/b20-9-
InChIKeyFSQZWGUUZHFVAC-UKWGHVSLSA-N
XLogP2.41
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
The IUPAC name of N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide (CID 134402813) is N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
The canonical SMILES for N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide is CCN(C)C(=O)OCc1nc(C)c(/C=[N+](\[O-])C(C)(C)C)nc1C.
What is the InChIKey of N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
The InChIKey is FSQZWGUUZHFVAC-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-8-19(7)15(21)23-10-14-12(3)17-13(11(2)18-14)9-20(22)16(4,5)6/h9H,8,10H2,1-7H3/b20-9-.
What are the key properties of N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide?
N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide has a molecular weight of 322.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide is sourced from PubChem (CID 134402813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).