1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine

C9H15N3O — CID 86127768

IUPAC1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine
SMILESCON=C(n1ccnc1)C(C)(C)C
InChIInChI=1S/C9H15N3O/c1-9(2,3)8(11-13-4)12-6-5-10-7-12/h5-7H,1-4H3
InChIKeyNMYGZLGNYVHYSA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.74
Rot. Bonds1

About 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine

1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine (PubChem CID 86127768) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine
PubChem CID86127768
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine
SMILESCON=C(n1ccnc1)C(C)(C)C
InChIInChI=1S/C9H15N3O/c1-9(2,3)8(11-13-4)12-6-5-10-7-12/h5-7H,1-4H3
InChIKeyNMYGZLGNYVHYSA-UHFFFAOYSA-N
XLogP1.74
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine
CID 13491023
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
CID 88687891
1-imidazol-1-yl-2-iodo-2-methylpropane-1-thione
CID 135197295
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-one
CID 54469700
1-imidazol-1-yl-2-(3-methoxy-3-methylbutoxy)-2-methylpropan-1-one
CID 167225834
methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
CID 174740575
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
CID 88748178
imidazole-1-carbothioylsulfanylmethyl 2,2-dimethylpropanoate
CID 53303035
1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
CID 119084004

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine (CID 86127768) is 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine is CON=C(n1ccnc1)C(C)(C)C.
What is the InChIKey of 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine?
The InChIKey is NMYGZLGNYVHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)8(11-13-4)12-6-5-10-7-12/h5-7H,1-4H3.
What are the key properties of 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine?
1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine has a molecular weight of 181.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-methoxy-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 86127768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).