2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

C18H20N2O — CID 166530611

IUPAC2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCNCC(=O)N1C[C@H]2C[C@@]2(c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H20N2O/c1-19-10-17(21)20-11-16-9-18(16,12-20)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16,19H,9-12H2,1H3/t16-,18+/m1/s1
InChIKeyNQMLERHOYSRHHI-AEFFLSMTSA-N
MW280.37 g/mol
LogP2.16
Rot. Bonds3

About 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 166530611) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID166530611
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCNCC(=O)N1C[C@H]2C[C@@]2(c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H20N2O/c1-19-10-17(21)20-11-16-9-18(16,12-20)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16,19H,9-12H2,1H3/t16-,18+/m1/s1
InChIKeyNQMLERHOYSRHHI-AEFFLSMTSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 166530611) is 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is CNCC(=O)N1C[C@H]2C[C@@]2(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is NQMLERHOYSRHHI-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-10-17(21)20-11-16-9-18(16,12-20)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,16,19H,9-12H2,1H3/t16-,18+/m1/s1.
What are the key properties of 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 280.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 166530611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).