(4-aminocyclohexyl) benzoate

C13H17NO2 — CID 24827569

IUPAC(4-aminocyclohexyl) benzoate
SMILESNC1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C13H17NO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2
InChIKeyJIBPNIZEKSJUQZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.11
Rot. Bonds2

About (4-aminocyclohexyl) benzoate

(4-aminocyclohexyl) benzoate (PubChem CID 24827569) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4-aminocyclohexyl) benzoate.

Molecular Properties

Compound Name(4-aminocyclohexyl) benzoate
PubChem CID24827569
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4-aminocyclohexyl) benzoate
SMILESNC1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C13H17NO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2
InChIKeyJIBPNIZEKSJUQZ-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl) benzoate?
The IUPAC name of (4-aminocyclohexyl) benzoate (CID 24827569) is (4-aminocyclohexyl) benzoate.
What is the SMILES notation for (4-aminocyclohexyl) benzoate?
The canonical SMILES for (4-aminocyclohexyl) benzoate is NC1CCC(OC(=O)c2ccccc2)CC1.
What is the InChIKey of (4-aminocyclohexyl) benzoate?
The InChIKey is JIBPNIZEKSJUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2.
What are the key properties of (4-aminocyclohexyl) benzoate?
(4-aminocyclohexyl) benzoate has a molecular weight of 219.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl) benzoate is sourced from PubChem (CID 24827569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).