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

C15H20N2O — CID 119335411

IUPAC2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone
SMILESCC1(C)C2CN(C(=O)C(N)c3ccccc3)CC21
InChIInChI=1S/C15H20N2O/c1-15(2)11-8-17(9-12(11)15)14(18)13(16)10-6-4-3-5-7-10/h3-7,11-13H,8-9,16H2,1-2H3
InChIKeyZZYYZUSUUZJXRD-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.80
Rot. Bonds2

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

2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone (PubChem CID 119335411) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone
PubChem CID119335411
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone
SMILESCC1(C)C2CN(C(=O)C(N)c3ccccc3)CC21
InChIInChI=1S/C15H20N2O/c1-15(2)11-8-17(9-12(11)15)14(18)13(16)10-6-4-3-5-7-10/h3-7,11-13H,8-9,16H2,1-2H3
InChIKeyZZYYZUSUUZJXRD-UHFFFAOYSA-N
XLogP1.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
CID 119804296
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone
CID 115977081
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone (CID 119335411) is 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone is CC1(C)C2CN(C(=O)C(N)c3ccccc3)CC21.
What is the InChIKey of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone?
The InChIKey is ZZYYZUSUUZJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2)11-8-17(9-12(11)15)14(18)13(16)10-6-4-3-5-7-10/h3-7,11-13H,8-9,16H2,1-2H3.
What are the key properties of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone?
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone has a molecular weight of 244.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone is sourced from PubChem (CID 119335411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).