ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate

C11H21N3O2 — CID 62361877

IUPACethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H21N3O2/c1-2-16-10(15)8-13-11(12)14-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,12,13,14)
InChIKeyGOSMXSGFENQTJC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate

ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate (PubChem CID 62361877) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
PubChem CID62361877
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nameethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H21N3O2/c1-2-16-10(15)8-13-11(12)14-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,12,13,14)
InChIKeyGOSMXSGFENQTJC-UHFFFAOYSA-N
XLogP0.79
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate
CID 174437144
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105181
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate?
The IUPAC name of ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate (CID 62361877) is ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate.
What is the SMILES notation for ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate?
The canonical SMILES for ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate is CCOC(=O)C/N=C(\N)NC1CCCCC1.
What is the InChIKey of ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate?
The InChIKey is GOSMXSGFENQTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-16-10(15)8-13-11(12)14-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H3,12,13,14).
What are the key properties of ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate?
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate has a molecular weight of 227.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate is sourced from PubChem (CID 62361877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).