3-methyl-2-methyliminopentan-3-ol;scandium

C7H15NOSc — CID 153491697

IUPAC3-methyl-2-methyliminopentan-3-ol;scandium
SMILESCCC(C)(O)/C(C)=N/C.[Sc]
InChIInChI=1S/C7H15NO.Sc/c1-5-7(3,9)6(2)8-4;/h9H,5H2,1-4H3;/b8-6+;
InChIKeyLXCYSGPWLMFJNS-WVLIHFOGSA-N
MW174.16 g/mol
LogP1.24
Rot. Bonds2

About 3-methyl-2-methyliminopentan-3-ol;scandium

3-methyl-2-methyliminopentan-3-ol;scandium (PubChem CID 153491697) has the molecular formula C7H15NOSc and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-methyl-2-methyliminopentan-3-ol;scandium.

Molecular Properties

Compound Name3-methyl-2-methyliminopentan-3-ol;scandium
PubChem CID153491697
Molecular FormulaC7H15NOSc
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name3-methyl-2-methyliminopentan-3-ol;scandium
SMILESCCC(C)(O)/C(C)=N/C.[Sc]
InChIInChI=1S/C7H15NO.Sc/c1-5-7(3,9)6(2)8-4;/h9H,5H2,1-4H3;/b8-6+;
InChIKeyLXCYSGPWLMFJNS-WVLIHFOGSA-N
XLogP1.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.24
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

3-methyl-2-methyliminopentan-3-ol;neodymium
CID 153491898
3-ethyl-2-methyliminopentan-3-ol;thulium
CID 153491886
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
CID 153491929
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793
2-hydroxy-2-methylbutanethioyl iodide
CID 162097418
4-(dimethylhydrazinylidene)-3-methylhexan-3-ol
CID 129086688
3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
CID 153491926
3-methyl-2-propan-2-yliminohexan-3-ol;scandium
CID 153491828
N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
CID 144764548
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 142531838
2-ethylimino-3-methylhexan-3-ol;lanthanum
CID 153491627
methanamine;2-methylbutan-2-ol
CID 142079467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methyliminopentan-3-ol;scandium?
The IUPAC name of 3-methyl-2-methyliminopentan-3-ol;scandium (CID 153491697) is 3-methyl-2-methyliminopentan-3-ol;scandium.
What is the SMILES notation for 3-methyl-2-methyliminopentan-3-ol;scandium?
The canonical SMILES for 3-methyl-2-methyliminopentan-3-ol;scandium is CCC(C)(O)/C(C)=N/C.[Sc].
What is the InChIKey of 3-methyl-2-methyliminopentan-3-ol;scandium?
The InChIKey is LXCYSGPWLMFJNS-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H15NO.Sc/c1-5-7(3,9)6(2)8-4;/h9H,5H2,1-4H3;/b8-6+;.
What are the key properties of 3-methyl-2-methyliminopentan-3-ol;scandium?
3-methyl-2-methyliminopentan-3-ol;scandium has a molecular weight of 174.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methyliminopentan-3-ol;scandium is sourced from PubChem (CID 153491697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).