1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone

C16H28N2O3 — CID 98314112

IUPAC1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
SMILESCN(C)CC1[C@H]2CN(C(=O)COC[C@@H]3CCCCO3)C[C@@H]12
InChIInChI=1S/C16H28N2O3/c1-17(2)7-13-14-8-18(9-15(13)14)16(19)11-20-10-12-5-3-4-6-21-12/h12-15H,3-11H2,1-2H3/t12-,13?,14-,15+/m0/s1
InChIKeyKTTPLOUPQGKFAR-AVOUXACISA-N
MW296.41 g/mol
LogP0.84
Rot. Bonds6

About 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone

1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone (PubChem CID 98314112) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
PubChem CID98314112
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
SMILESCN(C)CC1[C@H]2CN(C(=O)COC[C@@H]3CCCCO3)C[C@@H]12
InChIInChI=1S/C16H28N2O3/c1-17(2)7-13-14-8-18(9-15(13)14)16(19)11-20-10-12-5-3-4-6-21-12/h12-15H,3-11H2,1-2H3/t12-,13?,14-,15+/m0/s1
InChIKeyKTTPLOUPQGKFAR-AVOUXACISA-N
XLogP0.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone 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

1-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97096911
1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91797351
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 98323854
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
2-(oxan-2-ylmethoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72888083
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone (CID 98314112) is 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone is CN(C)CC1[C@H]2CN(C(=O)COC[C@@H]3CCCCO3)C[C@@H]12.
What is the InChIKey of 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The InChIKey is KTTPLOUPQGKFAR-AVOUXACISA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17(2)7-13-14-8-18(9-15(13)14)16(19)11-20-10-12-5-3-4-6-21-12/h12-15H,3-11H2,1-2H3/t12-,13?,14-,15+/m0/s1.
What are the key properties of 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone has a molecular weight of 296.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone is sourced from PubChem (CID 98314112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).