1-(cyclohexylamino)propan-2-yl benzoate

C16H23NO2 — CID 10770

💊View drug profile → hexylcaine
IUPAC1-(cyclohexylamino)propan-2-yl benzoate
SMILESCC(CNC1CCCCC1)OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
InChIKeyDKLKMKYDWHYZTD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds5

About 1-(cyclohexylamino)propan-2-yl benzoate

1-(cyclohexylamino)propan-2-yl benzoate (PubChem CID 10770) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(cyclohexylamino)propan-2-yl benzoate.

Molecular Properties

Compound Name1-(cyclohexylamino)propan-2-yl benzoate
PubChem CID10770
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(cyclohexylamino)propan-2-yl benzoate
SMILESCC(CNC1CCCCC1)OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
InChIKeyDKLKMKYDWHYZTD-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benfluorex
CID 2318
Benfluorex hydrochloride
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Hexylcaine Hydrochloride
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Meprylcaine
CID 4065
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Amyleine hydrochloride
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Piperocaine Hydrochloride
CID 10781
Piperocaine
CID 10782
[(1r,5s)-8-Azabicyclo[3.2.1]octan-3-Yl] Benzoate
CID 11458897
Benzoic acid 1-isopropyl-2,5-dimethyl-piperidin-4-yl ester
CID 586831
3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)propan-2-yl benzoate?
The IUPAC name of 1-(cyclohexylamino)propan-2-yl benzoate (CID 10770) is 1-(cyclohexylamino)propan-2-yl benzoate.
What is the SMILES notation for 1-(cyclohexylamino)propan-2-yl benzoate?
The canonical SMILES for 1-(cyclohexylamino)propan-2-yl benzoate is CC(CNC1CCCCC1)OC(=O)c1ccccc1.
What is the InChIKey of 1-(cyclohexylamino)propan-2-yl benzoate?
The InChIKey is DKLKMKYDWHYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3.
What are the key properties of 1-(cyclohexylamino)propan-2-yl benzoate?
1-(cyclohexylamino)propan-2-yl benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)propan-2-yl benzoate is sourced from PubChem (CID 10770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).