methyl 2-(cyclohexylmethylideneamino)acetate

C10H17NO2 — CID 11480853

IUPACmethyl 2-(cyclohexylmethylideneamino)acetate
SMILESCOC(=O)C/N=C/C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3/b11-7+
InChIKeyWBGLPSFFJXSFOH-YRNVUSSQSA-N
MW183.25 g/mol
LogP1.81
Rot. Bonds3

About methyl 2-(cyclohexylmethylideneamino)acetate

methyl 2-(cyclohexylmethylideneamino)acetate (PubChem CID 11480853) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(cyclohexylmethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylmethylideneamino)acetate
PubChem CID11480853
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-(cyclohexylmethylideneamino)acetate
SMILESCOC(=O)C/N=C/C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3/b11-7+
InChIKeyWBGLPSFFJXSFOH-YRNVUSSQSA-N
XLogP1.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.81
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

Ethyl 2-(2-ethylhexylideneamino)acetate
CID 132471480
Methyl 2-(heptylideneamino)acetate
CID 139254784
{[1-Cyclohexyl-meth-(e)-ylidene]-amino}-acetic acid tert-butyl ester
CID 19709583
2-(Cyclohexylmethylideneamino)acetic acid
CID 23187892
[2-Cyclohexyl-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249324
Methyl 2-[(2-oxocyclohexyl)methylideneamino]acetate
CID 117975537
Methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate
CID 141200884
Methyl 2-(4-methylpentylideneamino)acetate
CID 141316297
Tert-butyl 2-(3-ethylhexylideneamino)acetate
CID 143958776
Tert-butyl 2-(2-ethylpentylideneamino)acetate
CID 144232047
Ethyl 2-[(2,4-dimethylcyclohexylidene)amino]acetate
CID 144641282
Ethyl 2-(cyclohexylmethylideneamino)propanoate
CID 145814391

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylmethylideneamino)acetate?
The IUPAC name of methyl 2-(cyclohexylmethylideneamino)acetate (CID 11480853) is methyl 2-(cyclohexylmethylideneamino)acetate.
What is the SMILES notation for methyl 2-(cyclohexylmethylideneamino)acetate?
The canonical SMILES for methyl 2-(cyclohexylmethylideneamino)acetate is COC(=O)C/N=C/C1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexylmethylideneamino)acetate?
The InChIKey is WBGLPSFFJXSFOH-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3/b11-7+.
What are the key properties of methyl 2-(cyclohexylmethylideneamino)acetate?
methyl 2-(cyclohexylmethylideneamino)acetate has a molecular weight of 183.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylmethylideneamino)acetate is sourced from PubChem (CID 11480853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).