4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile

C11H19N3O2 — CID 78945675

IUPAC4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
SMILESCC(C)(C)NCC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)13-7-10(15)14-4-5-16-9(6-12)8-14/h9,13H,4-5,7-8H2,1-3H3
InChIKeyCLYISNWEKAUFGA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.13
Rot. Bonds2

About 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile

4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile (PubChem CID 78945675) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
PubChem CID78945675
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
SMILESCC(C)(C)NCC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)13-7-10(15)14-4-5-16-9(6-12)8-14/h9,13H,4-5,7-8H2,1-3H3
InChIKeyCLYISNWEKAUFGA-UHFFFAOYSA-N
XLogP0.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile (CID 78945675) is 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile is CC(C)(C)NCC(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile?
The InChIKey is CLYISNWEKAUFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)13-7-10(15)14-4-5-16-9(6-12)8-14/h9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile?
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile is sourced from PubChem (CID 78945675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).