2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile

C10H19N3O — CID 83020850

IUPAC2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile
SMILESCC(C)(C#N)CCNN1CCOCC1
InChIInChI=1S/C10H19N3O/c1-10(2,9-11)3-4-12-13-5-7-14-8-6-13/h12H,3-8H2,1-2H3
InChIKeyPHGCXTMZAHRHEM-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.76
Rot. Bonds4

About 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile

2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile (PubChem CID 83020850) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile
PubChem CID83020850
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile
SMILESCC(C)(C#N)CCNN1CCOCC1
InChIInChI=1S/C10H19N3O/c1-10(2,9-11)3-4-12-13-5-7-14-8-6-13/h12H,3-8H2,1-2H3
InChIKeyPHGCXTMZAHRHEM-UHFFFAOYSA-N
XLogP0.76
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-6-(morpholin-4-ylamino)hexanenitrile
CID 106709542
2-(morpholin-4-ylamino)acetonitrile;hydrochloride
CID 10154291
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
CID 103925508
N-(2,2-dimethylpropyl)morpholin-4-amine
CID 83009636
N-(3-methylbut-3-enyl)morpholin-4-amine
CID 114472486
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile
CID 115278486
N-(2-ethylsulfonylethyl)morpholin-4-amine
CID 83022350
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile
CID 103367487
2-cyano-N-morpholin-4-yl-2-propylpentanamide
CID 83016602

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile (CID 83020850) is 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile is CC(C)(C#N)CCNN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile?
The InChIKey is PHGCXTMZAHRHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,9-11)3-4-12-13-5-7-14-8-6-13/h12H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile?
2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile has a molecular weight of 197.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(morpholin-4-ylamino)butanenitrile is sourced from PubChem (CID 83020850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).