3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one

C17H24N2O — CID 119804296

IUPAC3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)N1CC2C(C1)C2(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-11(15(18)12-7-5-4-6-8-12)16(20)19-9-13-14(10-19)17(13,2)3/h4-8,11,13-15H,9-10,18H2,1-3H3
InChIKeyMVKLRHLMBMLFKG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one

3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one (PubChem CID 119804296) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
PubChem CID119804296
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)N1CC2C(C1)C2(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-11(15(18)12-7-5-4-6-8-12)16(20)19-9-13-14(10-19)17(13,2)3/h4-8,11,13-15H,9-10,18H2,1-3H3
InChIKeyMVKLRHLMBMLFKG-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one (CID 119804296) is 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one is CC(C(=O)N1CC2C(C1)C2(C)C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is MVKLRHLMBMLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(15(18)12-7-5-4-6-8-12)16(20)19-9-13-14(10-19)17(13,2)3/h4-8,11,13-15H,9-10,18H2,1-3H3.
What are the key properties of 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 119804296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).