3-cyclohexyliminobutanoic acid

C10H17NO2 — CID 23175571

IUPAC3-cyclohexyliminobutanoic acid
SMILESC/C(CC(=O)O)=N\C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(7-10(12)13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,13)/b11-8+
InChIKeyRIKRQJMHIMIEPC-DHZHZOJOSA-N
MW183.25 g/mol
LogP2.25
Rot. Bonds3

About 3-cyclohexyliminobutanoic acid

3-cyclohexyliminobutanoic acid (PubChem CID 23175571) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-cyclohexyliminobutanoic acid.

Molecular Properties

Compound Name3-cyclohexyliminobutanoic acid
PubChem CID23175571
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-cyclohexyliminobutanoic acid
SMILESC/C(CC(=O)O)=N\C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(7-10(12)13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,13)/b11-8+
InChIKeyRIKRQJMHIMIEPC-DHZHZOJOSA-N
XLogP2.25
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.25
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 3-cyclohexyliminobutanoic acid?
The IUPAC name of 3-cyclohexyliminobutanoic acid (CID 23175571) is 3-cyclohexyliminobutanoic acid.
What is the SMILES notation for 3-cyclohexyliminobutanoic acid?
The canonical SMILES for 3-cyclohexyliminobutanoic acid is C/C(CC(=O)O)=N\C1CCCCC1.
What is the InChIKey of 3-cyclohexyliminobutanoic acid?
The InChIKey is RIKRQJMHIMIEPC-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(7-10(12)13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,13)/b11-8+.
What are the key properties of 3-cyclohexyliminobutanoic acid?
3-cyclohexyliminobutanoic acid has a molecular weight of 183.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyliminobutanoic acid is sourced from PubChem (CID 23175571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).