2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile

C9H15N3O2 — CID 60699929

IUPAC2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
SMILESCN(CC#N)CC(=O)N1CCOCC1
InChIInChI=1S/C9H15N3O2/c1-11(3-2-10)8-9(13)12-4-6-14-7-5-12/h3-8H2,1H3
InChIKeyGDLGLAIXQNLNGE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.70
Rot. Bonds3

About 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile

2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile (PubChem CID 60699929) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
PubChem CID60699929
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
SMILESCN(CC#N)CC(=O)N1CCOCC1
InChIInChI=1S/C9H15N3O2/c1-11(3-2-10)8-9(13)12-4-6-14-7-5-12/h3-8H2,1H3
InChIKeyGDLGLAIXQNLNGE-UHFFFAOYSA-N
XLogP-0.70
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile 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

2-[methyl(methylaminomethyl)amino]-1-morpholin-4-ylethanone
CID 177179015
2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
CID 78815658
N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134018510
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-1-morpholin-4-ylethanone
CID 62007959
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-morpholin-4-ylethanone
CID 62013792
N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711621
2-[methyl-[[(1R,3R)-3-methylcyclopentyl]methyl]amino]-1-morpholin-4-ylethanone
CID 124864588
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
1-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119290917
2-amino-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide;hydrochloride
CID 119290901
N-[[(2R)-butan-2-yl]carbamoyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711763

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile?
The IUPAC name of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile (CID 60699929) is 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile is CN(CC#N)CC(=O)N1CCOCC1.
What is the InChIKey of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile?
The InChIKey is GDLGLAIXQNLNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11(3-2-10)8-9(13)12-4-6-14-7-5-12/h3-8H2,1H3.
What are the key properties of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile?
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile has a molecular weight of 197.24 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile is sourced from PubChem (CID 60699929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).