1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol

C11H16N2O — CID 102297237

IUPAC1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESC/N=C/C(C)(O)C1C=CC=C/C1=N\C
InChIInChI=1S/C11H16N2O/c1-11(14,8-12-2)9-6-4-5-7-10(9)13-3/h4-9,14H,1-3H3/b12-8+,13-10+
InChIKeyIPIDGCJMAXOGML-SDCOAONHSA-N
MW192.26 g/mol
LogP1.25
Rot. Bonds2

About 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol

1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol (PubChem CID 102297237) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol
PubChem CID102297237
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESC/N=C/C(C)(O)C1C=CC=C/C1=N\C
InChIInChI=1S/C11H16N2O/c1-11(14,8-12-2)9-6-4-5-7-10(9)13-3/h4-9,14H,1-3H3/b12-8+,13-10+
InChIKeyIPIDGCJMAXOGML-SDCOAONHSA-N
XLogP1.25
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
CID 141269706
N-tert-butyl-6-chlorocyclohexa-2,4-dien-1-imine
CID 70258379
2-cyclopenta-2,4-dien-1-ylpropan-2-ol
CID 12574784
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
N',2-dimethyl-N-(6-methylcyclohexa-2,4-dien-1-ylidene)propanimidamide
CID 156793504
3-tert-butyl-2-(3,5-dimethylphenyl)-6-methyliminocyclohexa-2,4-dien-1-ol
CID 70121497
methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
CID 100958241
tert-butyl N-[(1S)-6-oxocyclohepta-2,4-dien-1-yl]-N-prop-2-enylcarbamate
CID 162402636
2-tert-butyl-3aH-benzimidazole
CID 53405530
(5-tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 134888747
2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
CID 12977900
N-(1-hydroxy-2-methylpropan-2-yl)-1-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]methanimine oxide
CID 139785747

Frequently Asked Questions

What is the IUPAC name of 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol?
The IUPAC name of 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol (CID 102297237) is 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol is C/N=C/C(C)(O)C1C=CC=C/C1=N\C.
What is the InChIKey of 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol?
The InChIKey is IPIDGCJMAXOGML-SDCOAONHSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(14,8-12-2)9-6-4-5-7-10(9)13-3/h4-9,14H,1-3H3/b12-8+,13-10+.
What are the key properties of 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol?
1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol has a molecular weight of 192.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 102297237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).