(2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile

C13H22N4O — CID 98761781

IUPAC(2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
SMILESCN(C)C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCO1
InChIInChI=1S/C13H22N4O/c1-16(2)10-13-11-17(6-7-18-13)9-12(8-15)4-3-5-14/h12-13H,3-4,6-7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyAMWSCZBILMJSAB-CHWSQXEVSA-N
MW250.35 g/mol
LogP0.69
Rot. Bonds6

About (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile

(2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile (PubChem CID 98761781) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
PubChem CID98761781
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
SMILESCN(C)C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCO1
InChIInChI=1S/C13H22N4O/c1-16(2)10-13-11-17(6-7-18-13)9-12(8-15)4-3-5-14/h12-13H,3-4,6-7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyAMWSCZBILMJSAB-CHWSQXEVSA-N
XLogP0.69
TPSA63.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
CID 98775216
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
CID 79164880
(2S)-2-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 98775213
3-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831936
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
CID 157048783
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639
2-[[3-[methyl-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 71871797
(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97011968
(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 95322001

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
The IUPAC name of (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile (CID 98761781) is (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
The canonical SMILES for (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile is CN(C)C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCO1.
What is the InChIKey of (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
The InChIKey is AMWSCZBILMJSAB-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)10-13-11-17(6-7-18-13)9-12(8-15)4-3-5-14/h12-13H,3-4,6-7,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
(2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile has a molecular weight of 250.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile is sourced from PubChem (CID 98761781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).