2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile

C13H25N3O — CID 63027552

IUPAC2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
SMILESCCNC(C#N)CCN1CC(C)OC(C)(C)C1
InChIInChI=1S/C13H25N3O/c1-5-15-12(8-14)6-7-16-9-11(2)17-13(3,4)10-16/h11-12,15H,5-7,9-10H2,1-4H3
InChIKeyISWPSEGCEBNXMN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds5

About 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile

2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile (PubChem CID 63027552) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
PubChem CID63027552
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
SMILESCCNC(C#N)CCN1CC(C)OC(C)(C)C1
InChIInChI=1S/C13H25N3O/c1-5-15-12(8-14)6-7-16-9-11(2)17-13(3,4)10-16/h11-12,15H,5-7,9-10H2,1-4H3
InChIKeyISWPSEGCEBNXMN-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-4-cyclopropylmorpholin-2-yl]methylamino]propanenitrile
CID 95303524
[((2R,5R)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 45088569
2-[[2-(1-Aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103371801
4-(2,6-Dimethylmorpholin-4-yl)butan-2-amine
CID 16783784
2-(Tert-butylamino)-5-morpholin-4-ylpentanenitrile
CID 20825478
N-ethyl-N-[(5-methylmorpholin-2-yl)methyl]ethanamine
CID 21032428
2-Morpholinemethanamine, N,N,5-trimethyl-
CID 22056006
N,N-dimethyl-1-morpholin-2-ylethanamine
CID 22602402
N-(morpholin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22959034
[((2S,5R)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 45088570
[((2S,5S)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 58650608
N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine
CID 58650610

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile (CID 63027552) is 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile is CCNC(C#N)CCN1CC(C)OC(C)(C)C1.
What is the InChIKey of 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile?
The InChIKey is ISWPSEGCEBNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-15-12(8-14)6-7-16-9-11(2)17-13(3,4)10-16/h11-12,15H,5-7,9-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile?
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile is sourced from PubChem (CID 63027552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).