ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate

C14H25NO2 — CID 91391939

IUPACethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\CCC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-17-13(16)11-7-6-8-12(11)15-10-9-14(2,3)4/h11H,5-10H2,1-4H3/b15-12+
InChIKeyFQQFJSAQAIRDII-NTCAYCPXSA-N
MW239.36 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate

ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate (PubChem CID 91391939) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
PubChem CID91391939
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\CCC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-17-13(16)11-7-6-8-12(11)15-10-9-14(2,3)4/h11H,5-10H2,1-4H3/b15-12+
InChIKeyFQQFJSAQAIRDII-NTCAYCPXSA-N
XLogP3.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.23
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-methyliminocyclopentane-1-carboxylate
CID 12399146
methyl 5-tert-butyl-3,4-dihydro-2H-pyrrole-3-carboxylate
CID 58468604
[2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropyl] acetate
CID 70558842
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 2-[2-(dimethylamino)ethylimino]cyclopentane-1-carboxylate
CID 91103134
Ethyl 2-methoxyimino-1-methylcyclopentane-1-carboxylate
CID 92009830
Ethyl 5-methyl-3-propan-2-yliminohexanoate
CID 123410205
Ethyl 2-methyl-5-methyliminocyclopentane-1-carboxylate
CID 123898093
Methyl 2-methyliminocyclopentane-1-carboxylate
CID 139895330
Methyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 139895357

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate (CID 91391939) is ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate is CCOC(=O)C1CCC/C1=N\CCC(C)(C)C.
What is the InChIKey of ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate?
The InChIKey is FQQFJSAQAIRDII-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-17-13(16)11-7-6-8-12(11)15-10-9-14(2,3)4/h11H,5-10H2,1-4H3/b15-12+.
What are the key properties of ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate?
ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethylbutylimino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91391939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).