2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile

C12H21N3O2 — CID 54983450

IUPAC2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21N3O2/c1-10(8-13)9-14(3)11(2)12(16)15-4-6-17-7-5-15/h10-11H,4-7,9H2,1-3H3
InChIKeyOLTVACMMHLPWMG-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.33
Rot. Bonds4

About 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile

2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile (PubChem CID 54983450) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
PubChem CID54983450
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H21N3O2/c1-10(8-13)9-14(3)11(2)12(16)15-4-6-17-7-5-15/h10-11H,4-7,9H2,1-3H3
InChIKeyOLTVACMMHLPWMG-UHFFFAOYSA-N
XLogP0.33
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetate
CID 60660390
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63225345
2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 62021785
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
CID 78969862
3-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 62974544
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 107485176
N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395534
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one
CID 60524287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile (CID 54983450) is 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile is CC(C#N)CN(C)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile?
The InChIKey is OLTVACMMHLPWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(8-13)9-14(3)11(2)12(16)15-4-6-17-7-5-15/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile?
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile has a molecular weight of 239.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile is sourced from PubChem (CID 54983450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).