2-[2-(methylamino)ethoxy]butanenitrile

C7H14N2O — CID 62335687

IUPAC2-[2-(methylamino)ethoxy]butanenitrile
SMILESCCC(C#N)OCCNC
InChIInChI=1S/C7H14N2O/c1-3-7(6-8)10-5-4-9-2/h7,9H,3-5H2,1-2H3
InChIKeyKDHDXCYRBNQNMS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.52
Rot. Bonds5

About 2-[2-(methylamino)ethoxy]butanenitrile

2-[2-(methylamino)ethoxy]butanenitrile (PubChem CID 62335687) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]butanenitrile.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]butanenitrile
PubChem CID62335687
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-[2-(methylamino)ethoxy]butanenitrile
SMILESCCC(C#N)OCCNC
InChIInChI=1S/C7H14N2O/c1-3-7(6-8)10-5-4-9-2/h7,9H,3-5H2,1-2H3
InChIKeyKDHDXCYRBNQNMS-UHFFFAOYSA-N
XLogP0.52
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]butanenitrile?
The IUPAC name of 2-[2-(methylamino)ethoxy]butanenitrile (CID 62335687) is 2-[2-(methylamino)ethoxy]butanenitrile.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]butanenitrile?
The canonical SMILES for 2-[2-(methylamino)ethoxy]butanenitrile is CCC(C#N)OCCNC.
What is the InChIKey of 2-[2-(methylamino)ethoxy]butanenitrile?
The InChIKey is KDHDXCYRBNQNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-7(6-8)10-5-4-9-2/h7,9H,3-5H2,1-2H3.
What are the key properties of 2-[2-(methylamino)ethoxy]butanenitrile?
2-[2-(methylamino)ethoxy]butanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]butanenitrile is sourced from PubChem (CID 62335687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).