2-(2-methoxyethylamino)octanenitrile

C11H22N2O — CID 62540992

IUPAC2-(2-methoxyethylamino)octanenitrile
SMILESCCCCCCC(C#N)NCCOC
InChIInChI=1S/C11H22N2O/c1-3-4-5-6-7-11(10-12)13-8-9-14-2/h11,13H,3-9H2,1-2H3
InChIKeyJHZTXSPOMQYKPT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.08
Rot. Bonds9

About 2-(2-methoxyethylamino)octanenitrile

2-(2-methoxyethylamino)octanenitrile (PubChem CID 62540992) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)octanenitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)octanenitrile
PubChem CID62540992
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-methoxyethylamino)octanenitrile
SMILESCCCCCCC(C#N)NCCOC
InChIInChI=1S/C11H22N2O/c1-3-4-5-6-7-11(10-12)13-8-9-14-2/h11,13H,3-9H2,1-2H3
InChIKeyJHZTXSPOMQYKPT-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.08
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-hydroxyethylamino)nonanenitrile
CID 62587141
4-ethylsulfanyl-2-(2-methoxyethylamino)butanenitrile
CID 116504313
4-(3-methoxypropylsulfanyl)-2-(propylamino)butanenitrile
CID 63855966
2-(3-azidopropylamino)nonanenitrile
CID 66190474
2-(cyclopropylmethylamino)heptanenitrile
CID 60996351
2-(2-methoxyethylamino)-4-phenylbutanenitrile
CID 62880258
1-methoxy-N-propyldodecan-4-amine
CID 65091880
3-(3-methoxypropylsulfanyl)-2-(propylamino)propanenitrile
CID 63855413
3-(2-methoxyethylamino)pentanenitrile
CID 43367995
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)octanenitrile?
The IUPAC name of 2-(2-methoxyethylamino)octanenitrile (CID 62540992) is 2-(2-methoxyethylamino)octanenitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)octanenitrile?
The canonical SMILES for 2-(2-methoxyethylamino)octanenitrile is CCCCCCC(C#N)NCCOC.
What is the InChIKey of 2-(2-methoxyethylamino)octanenitrile?
The InChIKey is JHZTXSPOMQYKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-6-7-11(10-12)13-8-9-14-2/h11,13H,3-9H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)octanenitrile?
2-(2-methoxyethylamino)octanenitrile has a molecular weight of 198.31 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)octanenitrile is sourced from PubChem (CID 62540992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).