5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one

C13H24N2O2 — CID 117002390

IUPAC5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
SMILESNCCC1COC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c14-8-7-11-9-15(13(16)17-10-11)12-5-3-1-2-4-6-12/h11-12H,1-10,14H2
InChIKeyNIUFNUBCMZMCPY-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.13
Rot. Bonds3

About 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one

5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one (PubChem CID 117002390) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
PubChem CID117002390
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
SMILESNCCC1COC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c14-8-7-11-9-15(13(16)17-10-11)12-5-3-1-2-4-6-12/h11-12H,1-10,14H2
InChIKeyNIUFNUBCMZMCPY-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011500
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
CID 117011208
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117002371
3-cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23028986
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one
CID 23030131
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
3-cyclohexyl-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064770
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one
CID 115065205
2-cycloheptatriacontylethanamine
CID 70967764
2-[(3R)-1-cyclohexylpiperidin-3-yl]ethanamine
CID 95308858

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one (CID 117002390) is 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one is NCCC1COC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one?
The InChIKey is NIUFNUBCMZMCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-8-7-11-9-15(13(16)17-10-11)12-5-3-1-2-4-6-12/h11-12H,1-10,14H2.
What are the key properties of 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one?
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117002390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).