(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine

C6H13NO2 — CID 88709290

IUPAC(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
SMILESCOC(C)(C)C/C=N/O
InChIInChI=1S/C6H13NO2/c1-6(2,9-3)4-5-7-8/h5,8H,4H2,1-3H3/b7-5+
InChIKeyLONLDVBVVBLXGW-FNORWQNLSA-N
MW131.17 g/mol
LogP1.26
Rot. Bonds3

About (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine

(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine (PubChem CID 88709290) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
PubChem CID88709290
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
SMILESCOC(C)(C)C/C=N/O
InChIInChI=1S/C6H13NO2/c1-6(2,9-3)4-5-7-8/h5,8H,4H2,1-3H3/b7-5+
InChIKeyLONLDVBVVBLXGW-FNORWQNLSA-N
XLogP1.26
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
CID 159737053
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802
N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine
CID 173447725
(E)-5-methoxy-2,5-dimethylhex-2-en-1-ol
CID 87273202
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
(E)-5-methoxy-3,5-dimethylhex-2-en-1-ol
CID 87273401
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
CID 5388232
N-[2-[tert-butyl(dimethyl)silyl]ethylidene]hydroxylamine
CID 142327244
(NE)-N-(3-methoxybutylidene)hydroxylamine
CID 177477593
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine (CID 88709290) is (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine is COC(C)(C)C/C=N/O.
What is the InChIKey of (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine?
The InChIKey is LONLDVBVVBLXGW-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,9-3)4-5-7-8/h5,8H,4H2,1-3H3/b7-5+.
What are the key properties of (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine?
(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine has a molecular weight of 131.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine is sourced from PubChem (CID 88709290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).