3-cyclohexylimino-2-methylbutanoic acid

C11H19NO2 — CID 23175583

IUPAC3-cyclohexylimino-2-methylbutanoic acid
SMILESC/C(=N\C1CCCCC1)C(C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-8(11(13)14)9(2)12-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,14)/b12-9+
InChIKeyBOSOPADWUQDLEQ-FMIVXFBMSA-N
MW197.28 g/mol
LogP2.50
Rot. Bonds3

About 3-cyclohexylimino-2-methylbutanoic acid

3-cyclohexylimino-2-methylbutanoic acid (PubChem CID 23175583) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-cyclohexylimino-2-methylbutanoic acid.

Molecular Properties

Compound Name3-cyclohexylimino-2-methylbutanoic acid
PubChem CID23175583
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-cyclohexylimino-2-methylbutanoic acid
SMILESC/C(=N\C1CCCCC1)C(C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-8(11(13)14)9(2)12-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,14)/b12-9+
InChIKeyBOSOPADWUQDLEQ-FMIVXFBMSA-N
XLogP2.50
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.50
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

4-[(2-Methylcyclohexylidene)amino]butanoic acid
CID 76327245
Butanoic acid, 2-hexylimino-
CID 575036
2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
3-Pentyliminobutanoic acid
CID 23175555
2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175557
2-Ethyl-3-hexyliminobutanoic acid
CID 23175565
3-Cyclohexyliminobutanoic acid
CID 23175571
2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175575
3-Cyclohexylimino-2-ethylbutanoic acid
CID 23175589
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591
3-Butylimino-2-methylbutanoic acid
CID 23175595
2-Methyl-3-pentyliminobutanoic acid
CID 23175599

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylimino-2-methylbutanoic acid?
The IUPAC name of 3-cyclohexylimino-2-methylbutanoic acid (CID 23175583) is 3-cyclohexylimino-2-methylbutanoic acid.
What is the SMILES notation for 3-cyclohexylimino-2-methylbutanoic acid?
The canonical SMILES for 3-cyclohexylimino-2-methylbutanoic acid is C/C(=N\C1CCCCC1)C(C)C(=O)O.
What is the InChIKey of 3-cyclohexylimino-2-methylbutanoic acid?
The InChIKey is BOSOPADWUQDLEQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(11(13)14)9(2)12-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,14)/b12-9+.
What are the key properties of 3-cyclohexylimino-2-methylbutanoic acid?
3-cyclohexylimino-2-methylbutanoic acid has a molecular weight of 197.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-2-methylbutanoic acid is sourced from PubChem (CID 23175583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).