2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile

C8H16N2O3 — CID 104564901

IUPAC2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile
SMILESCOCCOCCOCC(N)C#N
InChIInChI=1S/C8H16N2O3/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8H,2-5,7,10H2,1H3
InChIKeyRFGRPZARBACYJG-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.48
Rot. Bonds8

About 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile

2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile (PubChem CID 104564901) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile
PubChem CID104564901
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile
SMILESCOCCOCCOCC(N)C#N
InChIInChI=1S/C8H16N2O3/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8H,2-5,7,10H2,1H3
InChIKeyRFGRPZARBACYJG-UHFFFAOYSA-N
XLogP-0.48
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[3-(2-methoxyethoxy)propoxy]propanenitrile
CID 103404541
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
2-amino-4-(3-methoxypropoxy)butanenitrile
CID 63028773
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514
1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile?
The IUPAC name of 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile (CID 104564901) is 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile.
What is the SMILES notation for 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile?
The canonical SMILES for 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile is COCCOCCOCC(N)C#N.
What is the InChIKey of 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile?
The InChIKey is RFGRPZARBACYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8H,2-5,7,10H2,1H3.
What are the key properties of 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile?
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile has a molecular weight of 188.23 g/mol, XLogP of -0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile is sourced from PubChem (CID 104564901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).