tert-butyl 2-(cyclohexylideneamino)acetate

C12H21NO2 — CID 157408764

IUPACtert-butyl 2-(cyclohexylideneamino)acetate
SMILESCC(C)(C)OC(=O)CN=C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)15-11(14)9-13-10-7-5-4-6-8-10/h4-9H2,1-3H3
InChIKeyNJRNPJWTEYJWPA-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.73
Rot. Bonds2

About tert-butyl 2-(cyclohexylideneamino)acetate

tert-butyl 2-(cyclohexylideneamino)acetate (PubChem CID 157408764) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl 2-(cyclohexylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclohexylideneamino)acetate
PubChem CID157408764
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl 2-(cyclohexylideneamino)acetate
SMILESCC(C)(C)OC(=O)CN=C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)15-11(14)9-13-10-7-5-4-6-8-10/h4-9H2,1-3H3
InChIKeyNJRNPJWTEYJWPA-UHFFFAOYSA-N
XLogP2.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.73
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-[(4,4-difluorocyclohexylidene)amino]acetate
CID 160439683
Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
Tert-butyl 2-(cyclopentylideneamino)acetate
CID 58215852
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
Methyl 2-(cyclohexylideneamino)acetate
CID 86162339
Tert-butyl 2-[(3-oxocyclohexylidene)amino]acetate
CID 123701676
Propan-2-yl 2-(cyclohexylideneamino)acetate
CID 141401798
[2-Methyl-1-(pentan-3-ylideneamino)propan-2-yl] acetate
CID 152456713
Tert-butyl 2-(3,3-dimethylhexan-2-ylideneamino)acetate
CID 175587262
Tert-butyl 2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylideneamino)acetate
CID 158444021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclohexylideneamino)acetate?
The IUPAC name of tert-butyl 2-(cyclohexylideneamino)acetate (CID 157408764) is tert-butyl 2-(cyclohexylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(cyclohexylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(cyclohexylideneamino)acetate is CC(C)(C)OC(=O)CN=C1CCCCC1.
What is the InChIKey of tert-butyl 2-(cyclohexylideneamino)acetate?
The InChIKey is NJRNPJWTEYJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)15-11(14)9-13-10-7-5-4-6-8-10/h4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclohexylideneamino)acetate?
tert-butyl 2-(cyclohexylideneamino)acetate has a molecular weight of 211.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclohexylideneamino)acetate is sourced from PubChem (CID 157408764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).