3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H18N2O2 — CID 64836979

IUPAC3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCC(CN)N1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C11H18N2O2/c1-4-6(5-12)13-9(14)7-8(10(13)15)11(7,2)3/h6-8H,4-5,12H2,1-3H3
InChIKeyQNPMMIMGFDNWNS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.36
Rot. Bonds3

About 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64836979) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64836979
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCC(CN)N1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C11H18N2O2/c1-4-6(5-12)13-9(14)7-8(10(13)15)11(7,2)3/h6-8H,4-5,12H2,1-3H3
InChIKeyQNPMMIMGFDNWNS-UHFFFAOYSA-N
XLogP0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64836979) is 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CCC(CN)N1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is QNPMMIMGFDNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6(5-12)13-9(14)7-8(10(13)15)11(7,2)3/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64836979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).