2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate

C15H29NO3 — CID 82532258

IUPAC2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
SMILESCCCCNCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-2-3-9-16-10-11-18-12-13-19-15(17)14-7-5-4-6-8-14/h14,16H,2-13H2,1H3
InChIKeyFZJSKVMVTMXQED-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.52
Rot. Bonds10

About 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate

2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate (PubChem CID 82532258) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
PubChem CID82532258
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
SMILESCCCCNCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-2-3-9-16-10-11-18-12-13-19-15(17)14-7-5-4-6-8-14/h14,16H,2-13H2,1H3
InChIKeyFZJSKVMVTMXQED-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)propyl cyclohexanecarboxylate
CID 82532737
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
nonyl cyclopentanecarboxylate
CID 575427
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
2-butoxyethyl 3-aminocyclohexane-1-carboxylate
CID 55148657
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
3-(2-dodecoxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984420
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
N-(2-pentoxyethyl)butan-1-amine
CID 54396114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate?
The IUPAC name of 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate (CID 82532258) is 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate?
The canonical SMILES for 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate is CCCCNCCOCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate?
The InChIKey is FZJSKVMVTMXQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-9-16-10-11-18-12-13-19-15(17)14-7-5-4-6-8-14/h14,16H,2-13H2,1H3.
What are the key properties of 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate?
2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate is sourced from PubChem (CID 82532258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).