2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid

C16H22N2O2 — CID 56834928

IUPAC2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid
SMILESC/C(=N\CC1(CC(=O)O)CCCCC1)c1ccccn1
InChIInChI=1S/C16H22N2O2/c1-13(14-7-3-6-10-17-14)18-12-16(11-15(19)20)8-4-2-5-9-16/h3,6-7,10H,2,4-5,8-9,11-12H2,1H3,(H,19,20)/b18-13+
InChIKeyGAAUZBDWBVROSG-QGOAFFKASA-N
MW274.36 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid

2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid (PubChem CID 56834928) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid
PubChem CID56834928
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid
SMILESC/C(=N\CC1(CC(=O)O)CCCCC1)c1ccccn1
InChIInChI=1S/C16H22N2O2/c1-13(14-7-3-6-10-17-14)18-12-16(11-15(19)20)8-4-2-5-9-16/h3,6-7,10H,2,4-5,8-9,11-12H2,1H3,(H,19,20)/b18-13+
InChIKeyGAAUZBDWBVROSG-QGOAFFKASA-N
XLogP3.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid (CID 56834928) is 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid is C/C(=N\CC1(CC(=O)O)CCCCC1)c1ccccn1.
What is the InChIKey of 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid?
The InChIKey is GAAUZBDWBVROSG-QGOAFFKASA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(14-7-3-6-10-17-14)18-12-16(11-15(19)20)8-4-2-5-9-16/h3,6-7,10H,2,4-5,8-9,11-12H2,1H3,(H,19,20)/b18-13+.
What are the key properties of 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid?
2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 56834928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).