N,2,2-trimethylpropan-1-imine oxide

C6H13NO — CID 11062349

IUPACN,2,2-trimethylpropan-1-imine oxide
SMILESC/[N+]([O-])=C/C(C)(C)C
InChIInChI=1S/C6H13NO/c1-6(2,3)5-7(4)8/h5H,1-4H3/b7-5-
InChIKeyXHBCIEMASKBFGW-ALCCZGGFSA-N
MW115.18 g/mol
LogP1.24
Rot. Bonds

About N,2,2-trimethylpropan-1-imine oxide

N,2,2-trimethylpropan-1-imine oxide (PubChem CID 11062349) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N,2,2-trimethylpropan-1-imine oxide.

Molecular Properties

Compound NameN,2,2-trimethylpropan-1-imine oxide
PubChem CID11062349
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN,2,2-trimethylpropan-1-imine oxide
SMILESC/[N+]([O-])=C/C(C)(C)C
InChIInChI=1S/C6H13NO/c1-6(2,3)5-7(4)8/h5H,1-4H3/b7-5-
InChIKeyXHBCIEMASKBFGW-ALCCZGGFSA-N
XLogP1.24
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.24
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,2,2-trimethylpropan-1-imine oxide?
The IUPAC name of N,2,2-trimethylpropan-1-imine oxide (CID 11062349) is N,2,2-trimethylpropan-1-imine oxide.
What is the SMILES notation for N,2,2-trimethylpropan-1-imine oxide?
The canonical SMILES for N,2,2-trimethylpropan-1-imine oxide is C/[N+]([O-])=C/C(C)(C)C.
What is the InChIKey of N,2,2-trimethylpropan-1-imine oxide?
The InChIKey is XHBCIEMASKBFGW-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2,3)5-7(4)8/h5H,1-4H3/b7-5-.
What are the key properties of N,2,2-trimethylpropan-1-imine oxide?
N,2,2-trimethylpropan-1-imine oxide has a molecular weight of 115.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethylpropan-1-imine oxide is sourced from PubChem (CID 11062349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).