5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one

C13H24N2O2 — CID 115065205

IUPAC5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCN)CN(C2CCCCC2)C(=O)O1
InChIInChI=1S/C13H24N2O2/c1-13(8-5-9-14)10-15(12(16)17-13)11-6-3-2-4-7-11/h11H,2-10,14H2,1H3
InChIKeyBWPLTDPZKJVVNU-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.27
Rot. Bonds4

About 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one

5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115065205) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID115065205
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCN)CN(C2CCCCC2)C(=O)O1
InChIInChI=1S/C13H24N2O2/c1-13(8-5-9-14)10-15(12(16)17-13)11-6-3-2-4-7-11/h11H,2-10,14H2,1H3
InChIKeyBWPLTDPZKJVVNU-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 115065232
5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
CID 115065235
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
3-cyclohexyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065053
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
CID 117002390
6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one
CID 115068146
3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
CID 165496385
3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115065255
5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065239
(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 58109421
1-cyclopentyl-3,3,5,5-tetramethylpiperazin-2-one
CID 117023809
(3S)-1-cyclohexyl-3-methylpyrrolidin-2-one
CID 143051215

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one (CID 115065205) is 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one is CC1(CCCN)CN(C2CCCCC2)C(=O)O1.
What is the InChIKey of 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is BWPLTDPZKJVVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(8-5-9-14)10-15(12(16)17-13)11-6-3-2-4-7-11/h11H,2-10,14H2,1H3.
What are the key properties of 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).