2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile

C17H21N3O — CID 99613524

IUPAC2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
SMILESCN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1
InChIInChI=1S/C17H21N3O/c1-19(13-15-6-3-5-9-21-15)11-14-12-20-8-4-2-7-17(20)16(14)10-18/h2,4,7-8,12,15H,3,5-6,9,11,13H2,1H3/t15-/m0/s1
InChIKeyYCYYVXIYNPKHHE-HNNXBMFYSA-N
MW283.38 g/mol
LogP2.81
Rot. Bonds4

About 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile

2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile (PubChem CID 99613524) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
PubChem CID99613524
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile
SMILESCN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1
InChIInChI=1S/C17H21N3O/c1-19(13-15-6-3-5-9-21-15)11-14-12-20-8-4-2-7-17(20)16(14)10-18/h2,4,7-8,12,15H,3,5-6,9,11,13H2,1H3/t15-/m0/s1
InChIKeyYCYYVXIYNPKHHE-HNNXBMFYSA-N
XLogP2.81
TPSA40.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
2-[[ethyl(piperidin-4-yl)amino]methyl]indolizine-1-carbonitrile
CID 60805941
2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
CID 134011008
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
CID 71899945
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile
CID 51322838
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 54579774
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
N-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 26329573

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile (CID 99613524) is 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile is CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1.
What is the InChIKey of 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile?
The InChIKey is YCYYVXIYNPKHHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(13-15-6-3-5-9-21-15)11-14-12-20-8-4-2-7-17(20)16(14)10-18/h2,4,7-8,12,15H,3,5-6,9,11,13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile?
2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 99613524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).