2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile

C17H33N3O — CID 102745446

IUPAC2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
SMILESCCNC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H33N3O/c1-7-19-17(6,12-18)10-8-9-11-20-13-15(2,3)21-16(4,5)14-20/h19H,7-11,13-14H2,1-6H3
InChIKeyIRTRWCOJYFPSIX-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds7

About 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile

2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile (PubChem CID 102745446) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
PubChem CID102745446
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
SMILESCCNC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H33N3O/c1-7-19-17(6,12-18)10-8-9-11-20-13-15(2,3)21-16(4,5)14-20/h19H,7-11,13-14H2,1-6H3
InChIKeyIRTRWCOJYFPSIX-UHFFFAOYSA-N
XLogP2.94
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 106710148
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102743878
5-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 103537872
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 79918629
2-amino-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-ol
CID 102746424
2-(ethylamino)-5-(3-ethylpyrrolidin-1-yl)-2-methylpentanenitrile
CID 113418574
N-ethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102743439
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)hexanenitrile
CID 79184004
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 63026298
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 64578836
2-(ethylamino)-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 63171363
2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 63973536

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile (CID 102745446) is 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile is CCNC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
The InChIKey is IRTRWCOJYFPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-19-17(6,12-18)10-8-9-11-20-13-15(2,3)21-16(4,5)14-20/h19H,7-11,13-14H2,1-6H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile has a molecular weight of 295.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile is sourced from PubChem (CID 102745446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).