(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine

C7H15NO2 — CID 130318920

IUPAC(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCOC/C(=N/O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-
InChIKeyPDQTUUGWUJVUTG-VURMDHGXSA-N
MW145.20 g/mol
LogP1.51
Rot. Bonds2

About (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 130318920) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID130318920
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCOC/C(=N/O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-
InChIKeyPDQTUUGWUJVUTG-VURMDHGXSA-N
XLogP1.51
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 130318920) is (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine is COC/C(=N/O)C(C)(C)C.
What is the InChIKey of (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is PDQTUUGWUJVUTG-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-.
What are the key properties of (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 145.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 130318920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).