3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C16H20N2O2 — CID 80507363

IUPAC3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CCC(N)c3ccccc3)C(=O)C21
InChIInChI=1S/C16H20N2O2/c1-16(2)12-13(16)15(20)18(14(12)19)9-8-11(17)10-6-4-3-5-7-10/h3-7,11-13H,8-9,17H2,1-2H3
InChIKeyOAUKZDSZIPLCNY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds4

About 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 80507363) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID80507363
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CCC(N)c3ccccc3)C(=O)C21
InChIInChI=1S/C16H20N2O2/c1-16(2)12-13(16)15(20)18(14(12)19)9-8-11(17)10-6-4-3-5-7-10/h3-7,11-13H,8-9,17H2,1-2H3
InChIKeyOAUKZDSZIPLCNY-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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Related Compounds

4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanoic acid
CID 80540402
1-(3-amino-3-phenylpropyl)azepane-2,7-dione
CID 80507605
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332
3-[(1S)-2-hydroxy-1-phenylethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107863631
4-[2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]heptanoic acid
CID 64835145
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylacetonitrile
CID 64835341
4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one
CID 124685403
8-[(3S)-3-amino-3-phenylpropyl]-3-[(4-bromophenyl)methyl]-1-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 69210426
1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
CID 79351012
1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
CID 63120892

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 80507363) is 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(CCC(N)c3ccccc3)C(=O)C21.
What is the InChIKey of 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is OAUKZDSZIPLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)12-13(16)15(20)18(14(12)19)9-8-11(17)10-6-4-3-5-7-10/h3-7,11-13H,8-9,17H2,1-2H3.
What are the key properties of 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 272.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 80507363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).