[tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium

C6H15N3O2 — CID 172706340

IUPAC[tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium
SMILESCCN([N+]([O-])=NO)C(C)(C)C
InChIInChI=1S/C6H15N3O2/c1-5-8(6(2,3)4)9(11)7-10/h10H,5H2,1-4H3
InChIKeyDQHABKXCBSNZIP-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.37
Rot. Bonds2

About [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium

[tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium (PubChem CID 172706340) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name[tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium
PubChem CID172706340
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name[tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium
SMILESCCN([N+]([O-])=NO)C(C)(C)C
InChIInChI=1S/C6H15N3O2/c1-5-8(6(2,3)4)9(11)7-10/h10H,5H2,1-4H3
InChIKeyDQHABKXCBSNZIP-UHFFFAOYSA-N
XLogP1.37
TPSA61.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

sodium;[tert-butyl(2-phenylethyl)amino]-hydroxyimino-oxidoazanium;hydride
CID 173440953
(E)-[tert-butyl(ethyl)amino]-(4-carboxycyclohexyl)oxyimino-oxidoazanium
CID 54674586
sodium;[tert-butyl(methyl)amino]-hydroxyimino-oxidoazanium;hydride
CID 173077726
(Z)-[tert-butyl(ethyl)amino]-cyclopentyloxyimino-oxidoazanium;carbon dioxide
CID 172983582
CID 136618121
CID 136618121
sodium;[ethyl(propan-2-yl)amino]-hydroxyimino-oxidoazanium;hydride
CID 173036497
(Z)-[tert-butyl(ethyl)amino]-(1-cyclohexylpiperidin-4-yl)oxyimino-oxidoazanium
CID 88575351
(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
CID 135512446
2-[4-[(E)-[[tert-butyl(ethyl)amino]-oxidoazaniumylidene]amino]oxycyclohexanecarbonyl]oxyethyl-trimethylazanium;2,2,2-trifluoroacetate
CID 54674907
N-ethyl-N-[(2Z)-2-hydroxyiminopropyl]nitramide
CID 15354890
2-[tert-butyl(ethyl)amino]propan-1-ol
CID 131224515
hydroxyimino-[methyl-[3-(methylamino)propyl]amino]-oxidoazanium
CID 135521196

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium?
The IUPAC name of [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium (CID 172706340) is [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium.
What is the SMILES notation for [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium?
The canonical SMILES for [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium is CCN([N+]([O-])=NO)C(C)(C)C.
What is the InChIKey of [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium?
The InChIKey is DQHABKXCBSNZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-5-8(6(2,3)4)9(11)7-10/h10H,5H2,1-4H3.
What are the key properties of [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium?
[tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium has a molecular weight of 161.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(ethyl)amino]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 172706340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).