N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide

C8H17NO2 — CID 14642522

IUPACN-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide
SMILESC/C=[N+](\[O-])C(COC)C(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(10)8(6-11-4)7(2)3/h5,7-8H,6H2,1-4H3/b9-5-
InChIKeyCSLZQVMCPMMUOD-UITAMQMPSA-N
MW159.23 g/mol
LogP1.26
Rot. Bonds4

About N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide

N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide (PubChem CID 14642522) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide
PubChem CID14642522
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide
SMILESC/C=[N+](\[O-])C(COC)C(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(10)8(6-11-4)7(2)3/h5,7-8H,6H2,1-4H3/b9-5-
InChIKeyCSLZQVMCPMMUOD-UITAMQMPSA-N
XLogP1.26
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine oxide
CID 14642521
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
potassium 1-methoxypropan-2-olate
CID 142707794
aluminum tris(1-methoxypropan-2-olate)
CID 173049234
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981
(2E,4E,6Z)-N-(1-methoxy-4-methylpentan-2-yl)-5-nitroocta-2,4,6-trien-1-amine
CID 139439311
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
1,3-dimethoxy-N-propan-2-ylpropan-2-amine
CID 134479894
(2R)-2-chloro-1-methoxypropane
CID 94475219
potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene
CID 135046538
3-fluoro-4-methoxy-2-propan-2-ylbutan-1-amine
CID 107443598

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide (CID 14642522) is N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide is C/C=[N+](\[O-])C(COC)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide?
The InChIKey is CSLZQVMCPMMUOD-UITAMQMPSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9(10)8(6-11-4)7(2)3/h5,7-8H,6H2,1-4H3/b9-5-.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide?
N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide has a molecular weight of 159.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)ethanimine oxide is sourced from PubChem (CID 14642522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).