2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid

C14H25NO2 — CID 23175575

IUPAC2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid
SMILESCCCCC(C(=O)O)/C(C)=N/C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-3-4-10-13(14(16)17)11(2)15-12-8-6-5-7-9-12/h12-13H,3-10H2,1-2H3,(H,16,17)/b15-11+
InChIKeyHWHLHITXJJDWSI-RVDMUPIBSA-N
MW239.36 g/mol
LogP3.67
Rot. Bonds6

About 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid

2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid (PubChem CID 23175575) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid.

Molecular Properties

Compound Name2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid
PubChem CID23175575
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid
SMILESCCCCC(C(=O)O)/C(C)=N/C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-3-4-10-13(14(16)17)11(2)15-12-8-6-5-7-9-12/h12-13H,3-10H2,1-2H3,(H,16,17)/b15-11+
InChIKeyHWHLHITXJJDWSI-RVDMUPIBSA-N
XLogP3.67
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid?
The IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid (CID 23175575) is 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid.
What is the SMILES notation for 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid?
The canonical SMILES for 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid is CCCCC(C(=O)O)/C(C)=N/C1CCCCC1.
What is the InChIKey of 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid?
The InChIKey is HWHLHITXJJDWSI-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-10-13(14(16)17)11(2)15-12-8-6-5-7-9-12/h12-13H,3-10H2,1-2H3,(H,16,17)/b15-11+.
What are the key properties of 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid?
2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid has a molecular weight of 239.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid is sourced from PubChem (CID 23175575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).