4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol

C18H29NO — CID 15323884

IUPAC4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
SMILESCc1cccc(C)c1/N=C(/C(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-12-10-9-11-13(2)14(12)19-15(17(3,4)5)16(20)18(6,7)8/h9-11,16,20H,1-8H3/b19-15-
InChIKeyUPAQFSUSSPLRSO-CYVLTUHYSA-N
MW275.44 g/mol
LogP4.83
Rot. Bonds2

About 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol

4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol (PubChem CID 15323884) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
PubChem CID15323884
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
SMILESCc1cccc(C)c1/N=C(/C(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H29NO/c1-12-10-9-11-13(2)14(12)19-15(17(3,4)5)16(20)18(6,7)8/h9-11,16,20H,1-8H3/b19-15-
InChIKeyUPAQFSUSSPLRSO-CYVLTUHYSA-N
XLogP4.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 10979726
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477
1-[3-methyl-2-(methyldiazenyl)anilino]ethanol
CID 134239529
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;2,2-dimethylpropan-1-ol;iron
CID 171405736
N-ditert-butylphosphanyl-N'-(2,6-dimethylphenyl)benzenecarboximidamide
CID 102227374
N,N'-bis(2,6-dimethylphenyl)-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 140654196
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
acetonitrile;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;carbanide;palladium
CID 59114907
diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
CID 86204980

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol?
The IUPAC name of 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol (CID 15323884) is 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol.
What is the SMILES notation for 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol?
The canonical SMILES for 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol is Cc1cccc(C)c1/N=C(/C(O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol?
The InChIKey is UPAQFSUSSPLRSO-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-10-9-11-13(2)14(12)19-15(17(3,4)5)16(20)18(6,7)8/h9-11,16,20H,1-8H3/b19-15-.
What are the key properties of 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol?
4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol has a molecular weight of 275.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol is sourced from PubChem (CID 15323884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).