3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C15H24N2O3 — CID 104747837

IUPAC3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCNC(CN1C(=O)C2C(C1=O)C2(C)C)C1CCOC1
InChIInChI=1S/C15H24N2O3/c1-4-16-10(9-5-6-20-8-9)7-17-13(18)11-12(14(17)19)15(11,2)3/h9-12,16H,4-8H2,1-3H3
InChIKeyIUIPOQSVGSYDHD-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.64
Rot. Bonds5

About 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 104747837) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID104747837
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCNC(CN1C(=O)C2C(C1=O)C2(C)C)C1CCOC1
InChIInChI=1S/C15H24N2O3/c1-4-16-10(9-5-6-20-8-9)7-17-13(18)11-12(14(17)19)15(11,2)3/h9-12,16H,4-8H2,1-3H3
InChIKeyIUIPOQSVGSYDHD-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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Related Compounds

6,6-Dimethyl-3-[2-(methylamino)butyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834892
3-[2-(Ethylamino)propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835083
6,6-Dimethyl-3-[2-(methylamino)pentyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835272
3-[3,3-Dimethyl-2-(methylamino)butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835463
6,6-Dimethyl-3-[2-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835465
3-[2-(Ethylamino)-3,3-dimethylbutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835656
6,6-Dimethyl-3-[2-(propylamino)propyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835657
3-[2-(Ethylamino)butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835848
3-[(4S)-4-methoxypyrrolidin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836117
6,6-Dimethyl-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836495
6,6-Dimethyl-3-(pyrrolidin-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836682
6,6-Dimethyl-3-[2-(propan-2-ylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836875

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 104747837) is 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CCNC(CN1C(=O)C2C(C1=O)C2(C)C)C1CCOC1.
What is the InChIKey of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is IUIPOQSVGSYDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-16-10(9-5-6-20-8-9)7-17-13(18)11-12(14(17)19)15(11,2)3/h9-12,16H,4-8H2,1-3H3.
What are the key properties of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 104747837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).