2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile

C11H21N3O — CID 20825442

IUPAC2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile
SMILESCC(C)(C)NC(C#N)CN1CCOCC1
InChIInChI=1S/C11H21N3O/c1-11(2,3)13-10(8-12)9-14-4-6-15-7-5-14/h10,13H,4-7,9H2,1-3H3
InChIKeyLPJVBPWJZDEKCV-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds3

About 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile

2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile (PubChem CID 20825442) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile
PubChem CID20825442
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile
SMILESCC(C)(C)NC(C#N)CN1CCOCC1
InChIInChI=1S/C11H21N3O/c1-11(2,3)13-10(8-12)9-14-4-6-15-7-5-14/h10,13H,4-7,9H2,1-3H3
InChIKeyLPJVBPWJZDEKCV-UHFFFAOYSA-N
XLogP0.60
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile (CID 20825442) is 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile is CC(C)(C)NC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile?
The InChIKey is LPJVBPWJZDEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)13-10(8-12)9-14-4-6-15-7-5-14/h10,13H,4-7,9H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile?
2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile has a molecular weight of 211.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 20825442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).