2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile

C11H22N2O — CID 106713108

IUPAC2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
SMILESCNCCOCCCCC(C)(C)C#N
InChIInChI=1S/C11H22N2O/c1-11(2,10-12)6-4-5-8-14-9-7-13-3/h13H,4-9H2,1-3H3
InChIKeyPPUBYUXRRNNZEV-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds8

About 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile

2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile (PubChem CID 106713108) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
PubChem CID106713108
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
SMILESCNCCOCCCCC(C)(C)C#N
InChIInChI=1S/C11H22N2O/c1-11(2,10-12)6-4-5-8-14-9-7-13-3/h13H,4-9H2,1-3H3
InChIKeyPPUBYUXRRNNZEV-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
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-6-propoxyhexanenitrile
CID 106710437
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
2,2-dimethyl-5-(4-methylpentoxy)pentanenitrile
CID 65257380
2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile
CID 106713109
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 65254266
6-[(E)-but-2-enoxy]-2,2-dimethylhexanenitrile
CID 106710483
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2,2-dimethyl-6-(2-phenoxyethoxy)hexanenitrile
CID 106710375
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile (CID 106713108) is 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile is CNCCOCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile?
The InChIKey is PPUBYUXRRNNZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,10-12)6-4-5-8-14-9-7-13-3/h13H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile?
2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile has a molecular weight of 198.31 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile is sourced from PubChem (CID 106713108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).