N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine

C8H13N3O — CID 54031218

IUPACN-imidazol-1-yloxy-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)C=NOn1ccnc1
InChIInChI=1S/C8H13N3O/c1-8(2,3)6-10-12-11-5-4-9-7-11/h4-7H,1-3H3
InChIKeyLFSSXKVUTCCHPE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.34
Rot. Bonds2

About N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine

N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine (PubChem CID 54031218) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-imidazol-1-yloxy-2,2-dimethylpropan-1-imine
PubChem CID54031218
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-imidazol-1-yloxy-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)C=NOn1ccnc1
InChIInChI=1S/C8H13N3O/c1-8(2,3)6-10-12-11-5-4-9-7-11/h4-7H,1-3H3
InChIKeyLFSSXKVUTCCHPE-UHFFFAOYSA-N
XLogP1.34
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine?
The IUPAC name of N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine (CID 54031218) is N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine is CC(C)(C)C=NOn1ccnc1.
What is the InChIKey of N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine?
The InChIKey is LFSSXKVUTCCHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)6-10-12-11-5-4-9-7-11/h4-7H,1-3H3.
What are the key properties of N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine?
N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine has a molecular weight of 167.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazol-1-yloxy-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 54031218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).