cyclohexyl 5-amino-2-(dimethylamino)benzoate

C15H22N2O2 — CID 61308483

IUPACcyclohexyl 5-amino-2-(dimethylamino)benzoate
SMILESCN(C)c1ccc(N)cc1C(=O)OC1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-17(2)14-9-8-11(16)10-13(14)15(18)19-12-6-4-3-5-7-12/h8-10,12H,3-7,16H2,1-2H3
InChIKeyXVFCSAGBGOVDOG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.82
Rot. Bonds3

About cyclohexyl 5-amino-2-(dimethylamino)benzoate

cyclohexyl 5-amino-2-(dimethylamino)benzoate (PubChem CID 61308483) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is cyclohexyl 5-amino-2-(dimethylamino)benzoate.

Molecular Properties

Compound Namecyclohexyl 5-amino-2-(dimethylamino)benzoate
PubChem CID61308483
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namecyclohexyl 5-amino-2-(dimethylamino)benzoate
SMILESCN(C)c1ccc(N)cc1C(=O)OC1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-17(2)14-9-8-11(16)10-13(14)15(18)19-12-6-4-3-5-7-12/h8-10,12H,3-7,16H2,1-2H3
InChIKeyXVFCSAGBGOVDOG-UHFFFAOYSA-N
XLogP2.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze cyclohexyl 5-amino-2-(dimethylamino)benzoate 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

(2-ethylcyclohexyl) 5-amino-2-(dimethylamino)benzoate
CID 61308311
(2-oxoazepan-3-yl) 5-amino-2-(dimethylamino)benzoate
CID 61323521
cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983
cyclobutyl 3-amino-4-(dimethylamino)benzoate
CID 62383283
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61489001
benzyl 5-amino-2-(dimethylamino)benzoate
CID 61310016
2-fluoroethyl 5-amino-2-(dimethylamino)benzoate
CID 80695629
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
octyl 5-amino-2-(dimethylamino)benzoate
CID 63446936
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
CID 61307078
cyclohexyl 2-aminobenzoate
CID 24510
cycloheptyl 2-amino-4,5-dimethoxybenzoate
CID 61301747

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-amino-2-(dimethylamino)benzoate?
The IUPAC name of cyclohexyl 5-amino-2-(dimethylamino)benzoate (CID 61308483) is cyclohexyl 5-amino-2-(dimethylamino)benzoate.
What is the SMILES notation for cyclohexyl 5-amino-2-(dimethylamino)benzoate?
The canonical SMILES for cyclohexyl 5-amino-2-(dimethylamino)benzoate is CN(C)c1ccc(N)cc1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-amino-2-(dimethylamino)benzoate?
The InChIKey is XVFCSAGBGOVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)14-9-8-11(16)10-13(14)15(18)19-12-6-4-3-5-7-12/h8-10,12H,3-7,16H2,1-2H3.
What are the key properties of cyclohexyl 5-amino-2-(dimethylamino)benzoate?
cyclohexyl 5-amino-2-(dimethylamino)benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-amino-2-(dimethylamino)benzoate is sourced from PubChem (CID 61308483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).