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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Related Compounds

1-cyclopentyl-N-imidazol-1-yloxymethanimine
CID 54463759
imidazol-1-yloxymethanol
CID 155678354
imidazol-1-yl 2-methoxy-2-prop-2-enylpent-4-enoate
CID 174904870
1-butoxyimidazole
CID 89011034
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
CID 88687891
imidazol-1-yl 2-butylhexanoate
CID 174655317
4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-one
CID 54469700
1-(13,13,13-trimethoxytridecyl)imidazole
CID 151189637
tert-butyl formate;1-methylimidazole
CID 175607211
(2S)-2-imidazol-1-yloxycarbonyl-3-methylbutanoic acid
CID 67801595
2-imidazol-1-ylpropan-2-ol
CID 57110355
1-(4-methylpentoxy)imidazole
CID 67927099

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).