ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate

C12H21N3O2 — CID 142262290

IUPACethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate
SMILESCCOC(=O)/C(=N/NCCN)C1=CCCCC1
InChIInChI=1S/C12H21N3O2/c1-2-17-12(16)11(15-14-9-8-13)10-6-4-3-5-7-10/h6,14H,2-5,7-9,13H2,1H3/b15-11+
InChIKeySNAABUVPPZQHSJ-RVDMUPIBSA-N
MW239.32 g/mol
LogP0.95
Rot. Bonds6

About ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate

ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate (PubChem CID 142262290) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate
PubChem CID142262290
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate
SMILESCCOC(=O)/C(=N/NCCN)C1=CCCCC1
InChIInChI=1S/C12H21N3O2/c1-2-17-12(16)11(15-14-9-8-13)10-6-4-3-5-7-10/h6,14H,2-5,7-9,13H2,1H3/b15-11+
InChIKeySNAABUVPPZQHSJ-RVDMUPIBSA-N
XLogP0.95
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate?
The IUPAC name of ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate (CID 142262290) is ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate.
What is the SMILES notation for ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate?
The canonical SMILES for ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate is CCOC(=O)/C(=N/NCCN)C1=CCCCC1.
What is the InChIKey of ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate?
The InChIKey is SNAABUVPPZQHSJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-17-12(16)11(15-14-9-8-13)10-6-4-3-5-7-10/h6,14H,2-5,7-9,13H2,1H3/b15-11+.
What are the key properties of ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate?
ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate has a molecular weight of 239.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(2-aminoethylhydrazinylidene)-2-(cyclohexen-1-yl)acetate is sourced from PubChem (CID 142262290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).