cyclohexyl 2-(4-aminophenyl)pentanoate

C17H25NO2 — CID 21294071

IUPACcyclohexyl 2-(4-aminophenyl)pentanoate
SMILESCCCC(C(=O)OC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H25NO2/c1-2-6-16(13-9-11-14(18)12-10-13)17(19)20-15-7-4-3-5-8-15/h9-12,15-16H,2-8,18H2,1H3
InChIKeyNCPIBURVZYBQGX-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.03
Rot. Bonds5

About cyclohexyl 2-(4-aminophenyl)pentanoate

cyclohexyl 2-(4-aminophenyl)pentanoate (PubChem CID 21294071) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is cyclohexyl 2-(4-aminophenyl)pentanoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-aminophenyl)pentanoate
PubChem CID21294071
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namecyclohexyl 2-(4-aminophenyl)pentanoate
SMILESCCCC(C(=O)OC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H25NO2/c1-2-6-16(13-9-11-14(18)12-10-13)17(19)20-15-7-4-3-5-8-15/h9-12,15-16H,2-8,18H2,1H3
InChIKeyNCPIBURVZYBQGX-UHFFFAOYSA-N
XLogP4.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-aminophenyl)pentanoate?
The IUPAC name of cyclohexyl 2-(4-aminophenyl)pentanoate (CID 21294071) is cyclohexyl 2-(4-aminophenyl)pentanoate.
What is the SMILES notation for cyclohexyl 2-(4-aminophenyl)pentanoate?
The canonical SMILES for cyclohexyl 2-(4-aminophenyl)pentanoate is CCCC(C(=O)OC1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of cyclohexyl 2-(4-aminophenyl)pentanoate?
The InChIKey is NCPIBURVZYBQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-6-16(13-9-11-14(18)12-10-13)17(19)20-15-7-4-3-5-8-15/h9-12,15-16H,2-8,18H2,1H3.
What are the key properties of cyclohexyl 2-(4-aminophenyl)pentanoate?
cyclohexyl 2-(4-aminophenyl)pentanoate has a molecular weight of 275.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-aminophenyl)pentanoate is sourced from PubChem (CID 21294071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).