3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C13H20N2O2 — CID 113448482

IUPAC3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC(CN1C(=O)C2CC2C1=O)C1CCCCC1
InChIInChI=1S/C13H20N2O2/c14-11(8-4-2-1-3-5-8)7-15-12(16)9-6-10(9)13(15)17/h8-11H,1-7,14H2
InChIKeyDYZJYTVLYCZCJK-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.90
Rot. Bonds3

About 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 113448482) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID113448482
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC(CN1C(=O)C2CC2C1=O)C1CCCCC1
InChIInChI=1S/C13H20N2O2/c14-11(8-4-2-1-3-5-8)7-15-12(16)9-6-10(9)13(15)17/h8-11H,1-7,14H2
InChIKeyDYZJYTVLYCZCJK-UHFFFAOYSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 63762501
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
3-(2-cyclopentyl-2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104753293
3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747843
3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836044
2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513413
1-cyclopentyl-2-piperidin-1-ylethanamine
CID 82399234
3-(2-amino-2-cyclohexylethyl)-1,3-oxazolidin-2-one
CID 104747274
2-[(2R)-2-aminopropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 104931620
1-(2-amino-2-cyclopentylethyl)pyridin-2-one
CID 104747056
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanoic acid
CID 64835516
1-cyclohexyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 104746074

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 113448482) is 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is NC(CN1C(=O)C2CC2C1=O)C1CCCCC1.
What is the InChIKey of 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is DYZJYTVLYCZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-11(8-4-2-1-3-5-8)7-15-12(16)9-6-10(9)13(15)17/h8-11H,1-7,14H2.
What are the key properties of 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 113448482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).