ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate

C13H23NO2 — CID 90959351

IUPACethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\CCC(C)C
InChIInChI=1S/C13H23NO2/c1-4-16-13(15)11-6-5-7-12(11)14-9-8-10(2)3/h10-11H,4-9H2,1-3H3/b14-12+
InChIKeyCVPSZACCMZQZBS-WYMLVPIESA-N
MW225.33 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate

ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate (PubChem CID 90959351) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
PubChem CID90959351
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\CCC(C)C
InChIInChI=1S/C13H23NO2/c1-4-16-13(15)11-6-5-7-12(11)14-9-8-10(2)3/h10-11H,4-9H2,1-3H3/b14-12+
InChIKeyCVPSZACCMZQZBS-WYMLVPIESA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-cyano-2-(3,4-dihydro-2H-pyrrol-5-yl)acetate
CID 78488886
Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
Ethyl 3-azabicyclo[3.1.0]hex-2-ene-2-carboxylate
CID 13150530
ethyl (2E)-2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
CID 13637917
Ethyl 2-iminocyclopentanecarboxylate
CID 23344256
Ethyl 4-[5-[(6-ethoxy-5-methyl-6-oxohexan-3-ylidene)amino]pentylimino]-2-methylhexanoate
CID 54554622
Ethyl 2-methyl-3-methyliminopentanoate
CID 56980856
Ethyl 2-(2,2-dimethylhydrazono)cyclopentanecarboxylate
CID 69063730
Ethyl 2-methoxyiminocyclopentane-1-carboxylate
CID 86168958
ethyl (2Z)-2-(dimethylhydrazinylidene)cyclopentane-1-carboxylate
CID 87677955
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
Ethyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 90901173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate (CID 90959351) is ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate is CCOC(=O)C1CCC/C1=N\CCC(C)C.
What is the InChIKey of ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate?
The InChIKey is CVPSZACCMZQZBS-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-16-13(15)11-6-5-7-12(11)14-9-8-10(2)3/h10-11H,4-9H2,1-3H3/b14-12+.
What are the key properties of ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate?
ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate is sourced from PubChem (CID 90959351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).