2-(3-aminocycloheptyl)ethyl benzoate

C16H23NO2 — CID 123815530

IUPAC2-(3-aminocycloheptyl)ethyl benzoate
SMILESNC1CCCCC(CCOC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c17-15-9-5-4-6-13(12-15)10-11-19-16(18)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12,17H2
InChIKeyLEIYBMCGYZZZRM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-aminocycloheptyl)ethyl benzoate

2-(3-aminocycloheptyl)ethyl benzoate (PubChem CID 123815530) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(3-aminocycloheptyl)ethyl benzoate.

Molecular Properties

Compound Name2-(3-aminocycloheptyl)ethyl benzoate
PubChem CID123815530
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(3-aminocycloheptyl)ethyl benzoate
SMILESNC1CCCCC(CCOC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c17-15-9-5-4-6-13(12-15)10-11-19-16(18)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12,17H2
InChIKeyLEIYBMCGYZZZRM-UHFFFAOYSA-N
XLogP3.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocycloheptyl)ethyl benzoate?
The IUPAC name of 2-(3-aminocycloheptyl)ethyl benzoate (CID 123815530) is 2-(3-aminocycloheptyl)ethyl benzoate.
What is the SMILES notation for 2-(3-aminocycloheptyl)ethyl benzoate?
The canonical SMILES for 2-(3-aminocycloheptyl)ethyl benzoate is NC1CCCCC(CCOC(=O)c2ccccc2)C1.
What is the InChIKey of 2-(3-aminocycloheptyl)ethyl benzoate?
The InChIKey is LEIYBMCGYZZZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-15-9-5-4-6-13(12-15)10-11-19-16(18)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12,17H2.
What are the key properties of 2-(3-aminocycloheptyl)ethyl benzoate?
2-(3-aminocycloheptyl)ethyl benzoate has a molecular weight of 261.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocycloheptyl)ethyl benzoate is sourced from PubChem (CID 123815530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).