N-tert-butylbutan-1-imine oxide

C8H17NO — CID 12514693

IUPACN-tert-butylbutan-1-imine oxide
SMILESCCC/C=[N+](\[O-])C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-7-9(10)8(2,3)4/h7H,5-6H2,1-4H3/b9-7-
InChIKeyJXISBLSMWZPVPM-CLFYSBASSA-N
MW143.23 g/mol
LogP2.17
Rot. Bonds2

About N-tert-butylbutan-1-imine oxide

N-tert-butylbutan-1-imine oxide (PubChem CID 12514693) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-tert-butylbutan-1-imine oxide.

Molecular Properties

Compound NameN-tert-butylbutan-1-imine oxide
PubChem CID12514693
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-tert-butylbutan-1-imine oxide
SMILESCCC/C=[N+](\[O-])C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-7-9(10)8(2,3)4/h7H,5-6H2,1-4H3/b9-7-
InChIKeyJXISBLSMWZPVPM-CLFYSBASSA-N
XLogP2.17
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbutan-1-imine oxide?
The IUPAC name of N-tert-butylbutan-1-imine oxide (CID 12514693) is N-tert-butylbutan-1-imine oxide.
What is the SMILES notation for N-tert-butylbutan-1-imine oxide?
The canonical SMILES for N-tert-butylbutan-1-imine oxide is CCC/C=[N+](\[O-])C(C)(C)C.
What is the InChIKey of N-tert-butylbutan-1-imine oxide?
The InChIKey is JXISBLSMWZPVPM-CLFYSBASSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-7-9(10)8(2,3)4/h7H,5-6H2,1-4H3/b9-7-.
What are the key properties of N-tert-butylbutan-1-imine oxide?
N-tert-butylbutan-1-imine oxide has a molecular weight of 143.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbutan-1-imine oxide is sourced from PubChem (CID 12514693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).