2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile

C16H30N2O — CID 106710148

IUPAC2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
SMILESCC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H30N2O/c1-14(2,11-17)9-7-8-10-18-12-15(3,4)19-16(5,6)13-18/h7-10,12-13H2,1-6H3
InChIKeyKSXSRRVMLLKGEE-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.60
Rot. Bonds5

About 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile

2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile (PubChem CID 106710148) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
PubChem CID106710148
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
SMILESCC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H30N2O/c1-14(2,11-17)9-7-8-10-18-12-15(3,4)19-16(5,6)13-18/h7-10,12-13H2,1-6H3
InChIKeyKSXSRRVMLLKGEE-UHFFFAOYSA-N
XLogP3.60
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102743878
2-(ethylamino)-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile
CID 102745446
2-amino-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-ol
CID 102746424
6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexanenitrile
CID 106709889
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine
CID 102745281
2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102745123
4-(5-chloropentyl)-2,2,6,6-tetramethylmorpholine
CID 102745265
6-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylhexanenitrile
CID 106713819
2,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)hexanenitrile
CID 106709915
2,2-dimethyl-6-(4-methyl-2,3-dioxopiperazin-1-yl)hexanenitrile
CID 106710237
1-(5-cyano-5-methylhexyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984160

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile (CID 106710148) is 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile is CC(C)(C#N)CCCCN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
The InChIKey is KSXSRRVMLLKGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2,11-17)9-7-8-10-18-12-15(3,4)19-16(5,6)13-18/h7-10,12-13H2,1-6H3.
What are the key properties of 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile?
2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile has a molecular weight of 266.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexanenitrile is sourced from PubChem (CID 106710148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).