2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile

C14H26N2O — CID 106709849

IUPAC2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
SMILESCN(CCCCC(C)(C)C#N)C1CCOCC1
InChIInChI=1S/C14H26N2O/c1-14(2,12-15)8-4-5-9-16(3)13-6-10-17-11-7-13/h13H,4-11H2,1-3H3
InChIKeyIJOXGBWSLIAHKA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.82
Rot. Bonds6

About 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile

2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile (PubChem CID 106709849) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
PubChem CID106709849
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
SMILESCN(CCCCC(C)(C)C#N)C1CCOCC1
InChIInChI=1S/C14H26N2O/c1-14(2,12-15)8-4-5-9-16(3)13-6-10-17-11-7-13/h13H,4-11H2,1-3H3
InChIKeyIJOXGBWSLIAHKA-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.82
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-[methyl(oxolan-3-yl)amino]butanenitrile
CID 115773014
2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
CID 82749419
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
CID 106710751
2,2-dimethyl-5-[methyl(oxan-4-yl)amino]pentanethioamide
CID 65260088
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
3-[methyl(oxepan-4-yl)amino]propanenitrile
CID 130694168
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine
CID 170541802
4-[3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611129
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile (CID 106709849) is 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile is CN(CCCCC(C)(C)C#N)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile?
The InChIKey is IJOXGBWSLIAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,12-15)8-4-5-9-16(3)13-6-10-17-11-7-13/h13H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile?
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile is sourced from PubChem (CID 106709849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).