6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile

C12H24N2O — CID 106709097

IUPAC6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile
SMILESCCOCCNCCCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-4-15-10-9-14-8-6-5-7-12(2,3)11-13/h14H,4-10H2,1-3H3
InChIKeyCVLDASQQUJNTEN-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.33
Rot. Bonds9

About 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile

6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile (PubChem CID 106709097) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile
PubChem CID106709097
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile
SMILESCCOCCNCCCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-4-15-10-9-14-8-6-5-7-12(2,3)11-13/h14H,4-10H2,1-3H3
InChIKeyCVLDASQQUJNTEN-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.33
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-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile
CID 65253841
5-[2-(2,2-Difluoroethoxy)ethylamino]-4,4-dimethylpentanenitrile
CID 103081250
5-[2-(2,2-Difluoroethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 105910669
2,2-Dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]hexanenitrile
CID 106709334
4,4-Dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanenitrile
CID 113242891
6-[2-(2,2-Difluoroethoxy)ethylamino]-2,2-dimethylhexanenitrile
CID 114127411
1-(2-Methoxyethylamino)cyclopentane-1-carbonitrile
CID 28702673
N-(2-methoxyethyl)-4,4-dimethylpentan-1-amine
CID 57945108
N-(2-methoxyethyl)-5,5-dimethylhexan-1-amine
CID 62603291
5-(2-Hydroxyethylamino)-4,4-dimethylpentanenitrile
CID 115651598
(2R)-2-(2-methoxyethylamino)-2-methylhexanenitrile
CID 164015681
5,5-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 164817550

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile (CID 106709097) is 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile is CCOCCNCCCCC(C)(C)C#N.
What is the InChIKey of 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile?
The InChIKey is CVLDASQQUJNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-15-10-9-14-8-6-5-7-12(2,3)11-13/h14H,4-10H2,1-3H3.
What are the key properties of 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile?
6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethylamino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).