N-tert-butyl-2,2-dimethylpropan-1-imine oxide

C9H19NO — CID 12555481

IUPACN-tert-butyl-2,2-dimethylpropan-1-imine oxide
SMILESCC(C)(C)/C=[N+](\[O-])C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)7-10(11)9(4,5)6/h7H,1-6H3/b10-7-
InChIKeyGMBLUVBUNBLQPC-YFHOEESVSA-N
MW157.26 g/mol
LogP2.41
Rot. Bonds

About N-tert-butyl-2,2-dimethylpropan-1-imine oxide

N-tert-butyl-2,2-dimethylpropan-1-imine oxide (PubChem CID 12555481) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylpropan-1-imine oxide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylpropan-1-imine oxide
PubChem CID12555481
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-tert-butyl-2,2-dimethylpropan-1-imine oxide
SMILESCC(C)(C)/C=[N+](\[O-])C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)7-10(11)9(4,5)6/h7H,1-6H3/b10-7-
InChIKeyGMBLUVBUNBLQPC-YFHOEESVSA-N
XLogP2.41
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.41
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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Related Compounds

N-tert-Butyl-2,2-dimethylpropane-1-imine
CID 546366
2,2,5,5-Tetramethyl-2,5-dihydropyrazine 1,4-dioxide
CID 1268200
N-tert-butylbutan-1-imine oxide
CID 12514693
(Z)-tert-butyl(2-methylpropylidene)azane oxide
CID 13033915
N-tert-butyl-alpha-isopropylnitrone
CID 73164807
N,N'-ditert-butylethane-1,2-diimine oxide
CID 140618790
N,N'-di-t-butyl ethylidene dinitrone
CID 129828534
N-tert-butylpentan-1-imine oxide
CID 134876883
N,N'-ditert-butylpentane-1,5-diimine oxide
CID 88537610
N-tert-butylhexan-1-imine oxide
CID 121452388
(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium
CID 126561591
(Z)-tert-butyl-butylidene-hydroxyazanium
CID 126564023

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethylpropan-1-imine oxide?
The IUPAC name of N-tert-butyl-2,2-dimethylpropan-1-imine oxide (CID 12555481) is N-tert-butyl-2,2-dimethylpropan-1-imine oxide.
What is the SMILES notation for N-tert-butyl-2,2-dimethylpropan-1-imine oxide?
The canonical SMILES for N-tert-butyl-2,2-dimethylpropan-1-imine oxide is CC(C)(C)/C=[N+](\[O-])C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylpropan-1-imine oxide?
The InChIKey is GMBLUVBUNBLQPC-YFHOEESVSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)7-10(11)9(4,5)6/h7H,1-6H3/b10-7-.
What are the key properties of N-tert-butyl-2,2-dimethylpropan-1-imine oxide?
N-tert-butyl-2,2-dimethylpropan-1-imine oxide has a molecular weight of 157.26 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylpropan-1-imine oxide is sourced from PubChem (CID 12555481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).