ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate

C15H27N3O2 — CID 142262283

IUPACethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate
SMILESCCOC(=O)/C=C1\CCCCCC\C1=N\N(C)CCN
InChIInChI=1S/C15H27N3O2/c1-3-20-15(19)12-13-8-6-4-5-7-9-14(13)17-18(2)11-10-16/h12H,3-11,16H2,1-2H3/b13-12+,17-14-
InChIKeyHXTXJJUZYBSFDI-SQCSQLHISA-N
MW281.40 g/mol
LogP2.08
Rot. Bonds5

About ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate

ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate (PubChem CID 142262283) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate
PubChem CID142262283
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nameethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate
SMILESCCOC(=O)/C=C1\CCCCCC\C1=N\N(C)CCN
InChIInChI=1S/C15H27N3O2/c1-3-20-15(19)12-13-8-6-4-5-7-9-14(13)17-18(2)11-10-16/h12H,3-11,16H2,1-2H3/b13-12+,17-14-
InChIKeyHXTXJJUZYBSFDI-SQCSQLHISA-N
XLogP2.08
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[8-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]acetate
CID 11076950
ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
CID 83854803
cyclohexanone;ethyl 2-oxoacetate
CID 88772549
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
CID 23288817
2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
CID 137371720
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
CID 10802142
ethyl (2Z)-2-(thiolan-2-ylidene)acetate
CID 14960020
ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate
CID 69074858
methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate (CID 142262283) is ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate is CCOC(=O)/C=C1\CCCCCC\C1=N\N(C)CCN.
What is the InChIKey of ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate?
The InChIKey is HXTXJJUZYBSFDI-SQCSQLHISA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-20-15(19)12-13-8-6-4-5-7-9-14(13)17-18(2)11-10-16/h12H,3-11,16H2,1-2H3/b13-12+,17-14-.
What are the key properties of ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate?
ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate has a molecular weight of 281.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate is sourced from PubChem (CID 142262283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).