2-(2-methoxyethylamino)-2-methylpentanenitrile

C9H18N2O — CID 62541325

IUPAC2-(2-methoxyethylamino)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)NCCOC
InChIInChI=1S/C9H18N2O/c1-4-5-9(2,8-10)11-6-7-12-3/h11H,4-7H2,1-3H3
InChIKeyRABPVKYBZHORMH-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.30
Rot. Bonds6

About 2-(2-methoxyethylamino)-2-methylpentanenitrile

2-(2-methoxyethylamino)-2-methylpentanenitrile (PubChem CID 62541325) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-methylpentanenitrile
PubChem CID62541325
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-methoxyethylamino)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)NCCOC
InChIInChI=1S/C9H18N2O/c1-4-5-9(2,8-10)11-6-7-12-3/h11H,4-7H2,1-3H3
InChIKeyRABPVKYBZHORMH-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.30
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-methoxyethylamino)-2-methylpentanenitrile?
The IUPAC name of 2-(2-methoxyethylamino)-2-methylpentanenitrile (CID 62541325) is 2-(2-methoxyethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-methylpentanenitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-2-methylpentanenitrile is CCCC(C)(C#N)NCCOC.
What is the InChIKey of 2-(2-methoxyethylamino)-2-methylpentanenitrile?
The InChIKey is RABPVKYBZHORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-9(2,8-10)11-6-7-12-3/h11H,4-7H2,1-3H3.
What are the key properties of 2-(2-methoxyethylamino)-2-methylpentanenitrile?
2-(2-methoxyethylamino)-2-methylpentanenitrile has a molecular weight of 170.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 62541325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).