2,2-dimorpholin-4-ylacetonitrile

C10H17N3O2 — CID 12502867

IUPAC2,2-dimorpholin-4-ylacetonitrile
SMILESN#CC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H17N3O2/c11-9-10(12-1-5-14-6-2-12)13-3-7-15-8-4-13/h10H,1-8H2
InChIKeyLTTKVCQTHFPVQX-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.50
Rot. Bonds2

About 2,2-dimorpholin-4-ylacetonitrile

2,2-dimorpholin-4-ylacetonitrile (PubChem CID 12502867) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,2-dimorpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2,2-dimorpholin-4-ylacetonitrile
PubChem CID12502867
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2,2-dimorpholin-4-ylacetonitrile
SMILESN#CC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H17N3O2/c11-9-10(12-1-5-14-6-2-12)13-3-7-15-8-4-13/h10H,1-8H2
InChIKeyLTTKVCQTHFPVQX-UHFFFAOYSA-N
XLogP-0.50
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
CID 92787269
3,4-dimethyl-2-morpholin-4-ylpentanenitrile
CID 130735318
(2R)-2-morpholin-4-ylbutanedinitrile
CID 92856315
(E)-2-morpholin-4-ylpent-3-enenitrile
CID 12781847
2-morpholin-4-yl-2-(oxolan-3-yl)acetonitrile
CID 43802974
2-(1-fluorocyclohexyl)-2-morpholin-4-ylacetonitrile
CID 46894278
4-[(2S)-1,1,1,3,3-pentafluoropropan-2-yl]morpholine
CID 131093423
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
methyl hydrogen sulfate;2-morpholin-4-ylpropanenitrile
CID 87840801
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925

Frequently Asked Questions

What is the IUPAC name of 2,2-dimorpholin-4-ylacetonitrile?
The IUPAC name of 2,2-dimorpholin-4-ylacetonitrile (CID 12502867) is 2,2-dimorpholin-4-ylacetonitrile.
What is the SMILES notation for 2,2-dimorpholin-4-ylacetonitrile?
The canonical SMILES for 2,2-dimorpholin-4-ylacetonitrile is N#CC(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2,2-dimorpholin-4-ylacetonitrile?
The InChIKey is LTTKVCQTHFPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-9-10(12-1-5-14-6-2-12)13-3-7-15-8-4-13/h10H,1-8H2.
What are the key properties of 2,2-dimorpholin-4-ylacetonitrile?
2,2-dimorpholin-4-ylacetonitrile has a molecular weight of 211.26 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimorpholin-4-ylacetonitrile is sourced from PubChem (CID 12502867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).