2-[(cyclohexylazaniumyl)methyl]benzoate

C14H19NO2 — CID 41495277

IUPAC2-[(cyclohexylazaniumyl)methyl]benzoate
SMILESO=C([O-])c1ccccc1C[NH2+]C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyKVFMPRDAODYNRH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.45
Rot. Bonds4

About 2-[(cyclohexylazaniumyl)methyl]benzoate

2-[(cyclohexylazaniumyl)methyl]benzoate (PubChem CID 41495277) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(cyclohexylazaniumyl)methyl]benzoate.

Molecular Properties

Compound Name2-[(cyclohexylazaniumyl)methyl]benzoate
PubChem CID41495277
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(cyclohexylazaniumyl)methyl]benzoate
SMILESO=C([O-])c1ccccc1C[NH2+]C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17)
InChIKeyKVFMPRDAODYNRH-UHFFFAOYSA-N
XLogP0.45
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(cyclohexylazaniumyl)methyl]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-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
CID 56843649
cyclopentyl-[(2-fluorophenyl)methyl]azanium
CID 6964173
bis(2-ethylbenzoate);lead(2+)
CID 101297382
barium(2+);bis(2-ethylbenzoate)
CID 101299927
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 6990965
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
nickel(2+);phthalate
CID 15798393
aluminum tris(2-prop-2-enylbenzoate)
CID 70137738

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylazaniumyl)methyl]benzoate?
The IUPAC name of 2-[(cyclohexylazaniumyl)methyl]benzoate (CID 41495277) is 2-[(cyclohexylazaniumyl)methyl]benzoate.
What is the SMILES notation for 2-[(cyclohexylazaniumyl)methyl]benzoate?
The canonical SMILES for 2-[(cyclohexylazaniumyl)methyl]benzoate is O=C([O-])c1ccccc1C[NH2+]C1CCCCC1.
What is the InChIKey of 2-[(cyclohexylazaniumyl)methyl]benzoate?
The InChIKey is KVFMPRDAODYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2,(H,16,17).
What are the key properties of 2-[(cyclohexylazaniumyl)methyl]benzoate?
2-[(cyclohexylazaniumyl)methyl]benzoate has a molecular weight of 233.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylazaniumyl)methyl]benzoate is sourced from PubChem (CID 41495277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).