propan-2-yl 2-(cyclohexylideneamino)acetate

C11H19NO2 — CID 141401798

IUPACpropan-2-yl 2-(cyclohexylideneamino)acetate
SMILESCC(C)OC(=O)CN=C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)14-11(13)8-12-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyVAMXBLXZUHJRGD-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.34
Rot. Bonds3

About propan-2-yl 2-(cyclohexylideneamino)acetate

propan-2-yl 2-(cyclohexylideneamino)acetate (PubChem CID 141401798) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is propan-2-yl 2-(cyclohexylideneamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(cyclohexylideneamino)acetate
PubChem CID141401798
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namepropan-2-yl 2-(cyclohexylideneamino)acetate
SMILESCC(C)OC(=O)CN=C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)14-11(13)8-12-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyVAMXBLXZUHJRGD-UHFFFAOYSA-N
XLogP2.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(cyclohexylideneamino)acetate
CID 86162339
Ethyl 2-[(3-oxocyclohexylidene)amino]acetate
CID 123886282
(4-Methyliminocyclohexyl) 2-aminoacetate
CID 144443991
Tert-butyl 2-(cyclohexylideneamino)acetate
CID 157408764
Propan-2-yl 2-(propan-2-ylideneamino)acetate
CID 158056343

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(cyclohexylideneamino)acetate?
The IUPAC name of propan-2-yl 2-(cyclohexylideneamino)acetate (CID 141401798) is propan-2-yl 2-(cyclohexylideneamino)acetate.
What is the SMILES notation for propan-2-yl 2-(cyclohexylideneamino)acetate?
The canonical SMILES for propan-2-yl 2-(cyclohexylideneamino)acetate is CC(C)OC(=O)CN=C1CCCCC1.
What is the InChIKey of propan-2-yl 2-(cyclohexylideneamino)acetate?
The InChIKey is VAMXBLXZUHJRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)14-11(13)8-12-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of propan-2-yl 2-(cyclohexylideneamino)acetate?
propan-2-yl 2-(cyclohexylideneamino)acetate has a molecular weight of 197.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(cyclohexylideneamino)acetate is sourced from PubChem (CID 141401798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).