tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate

C15H27NO2 — CID 59249351

IUPACtert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate
SMILESCC1(C/C=N/CC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H27NO2/c1-14(2,3)18-13(17)12-16-11-10-15(4)8-6-5-7-9-15/h11H,5-10,12H2,1-4H3/b16-11+
InChIKeyGTOOGJPUYCJTAP-LFIBNONCSA-N
MW253.39 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate

tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate (PubChem CID 59249351) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate
PubChem CID59249351
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate
SMILESCC1(C/C=N/CC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H27NO2/c1-14(2,3)18-13(17)12-16-11-10-15(4)8-6-5-7-9-15/h11H,5-10,12H2,1-4H3/b16-11+
InChIKeyGTOOGJPUYCJTAP-LFIBNONCSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.76
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

tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate
CID 59249544
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
CID 59249507
tert-butyl 2-[3-(1,3-dioxolan-2-yl)propylideneamino]acetate
CID 15882717
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethylideneamino]acetate
CID 59249624
tert-butyl 3-[(2R)-2-methyloxolan-2-yl]-3-oxopropanoate
CID 125485787
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
tert-butyl 2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]acetate
CID 134940584
tert-butyl 2-(4-formylcyclohexyl)acetate
CID 86602219
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602
tert-butyl 3-(3-methylpyrrolidin-3-yl)propanoate
CID 157413904
tert-butyl 4-(1-hydroxycyclopentyl)but-3-ynoate
CID 102086964
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate?
The IUPAC name of tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate (CID 59249351) is tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate?
The canonical SMILES for tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate is CC1(C/C=N/CC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate?
The InChIKey is GTOOGJPUYCJTAP-LFIBNONCSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)18-13(17)12-16-11-10-15(4)8-6-5-7-9-15/h11H,5-10,12H2,1-4H3/b16-11+.
What are the key properties of tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate?
tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate has a molecular weight of 253.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate is sourced from PubChem (CID 59249351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).