5-aminopentyl 2-cyclohexyloxyacetate

C13H25NO3 — CID 158302508

IUPAC5-aminopentyl 2-cyclohexyloxyacetate
SMILESNCCCCCOC(=O)COC1CCCCC1
InChIInChI=1S/C13H25NO3/c14-9-5-2-6-10-16-13(15)11-17-12-7-3-1-4-8-12/h12H,1-11,14H2
InChIKeyGMQYLQWOFRTKFA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.01
Rot. Bonds8

About 5-aminopentyl 2-cyclohexyloxyacetate

5-aminopentyl 2-cyclohexyloxyacetate (PubChem CID 158302508) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-aminopentyl 2-cyclohexyloxyacetate.

Molecular Properties

Compound Name5-aminopentyl 2-cyclohexyloxyacetate
PubChem CID158302508
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name5-aminopentyl 2-cyclohexyloxyacetate
SMILESNCCCCCOC(=O)COC1CCCCC1
InChIInChI=1S/C13H25NO3/c14-9-5-2-6-10-16-13(15)11-17-12-7-3-1-4-8-12/h12H,1-11,14H2
InChIKeyGMQYLQWOFRTKFA-UHFFFAOYSA-N
XLogP2.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-aminopentyl 2-cyclohexyloxyacetate 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

N-(3-aminopropyl)-2-cyclohexyloxy-N-methylacetamide
CID 43253953
cyclooctyl 7-aminoheptanoate
CID 21259475
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
cycloheptyl 2-(2-aminoethoxy)acetate
CID 79464005
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
(Z)-17-cyclopentyloxyheptadec-8-en-1-amine
CID 155456383
1-adamantylmethyl 2-cyclohexyloxyacetate
CID 159978550
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101

Frequently Asked Questions

What is the IUPAC name of 5-aminopentyl 2-cyclohexyloxyacetate?
The IUPAC name of 5-aminopentyl 2-cyclohexyloxyacetate (CID 158302508) is 5-aminopentyl 2-cyclohexyloxyacetate.
What is the SMILES notation for 5-aminopentyl 2-cyclohexyloxyacetate?
The canonical SMILES for 5-aminopentyl 2-cyclohexyloxyacetate is NCCCCCOC(=O)COC1CCCCC1.
What is the InChIKey of 5-aminopentyl 2-cyclohexyloxyacetate?
The InChIKey is GMQYLQWOFRTKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c14-9-5-2-6-10-16-13(15)11-17-12-7-3-1-4-8-12/h12H,1-11,14H2.
What are the key properties of 5-aminopentyl 2-cyclohexyloxyacetate?
5-aminopentyl 2-cyclohexyloxyacetate has a molecular weight of 243.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentyl 2-cyclohexyloxyacetate is sourced from PubChem (CID 158302508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).