3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile

C11H22N2O — CID 60691302

IUPAC3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile
SMILESCCOCCN(CCC#N)CC(C)C
InChIInChI=1S/C11H22N2O/c1-4-14-9-8-13(7-5-6-12)10-11(2)3/h11H,4-5,7-10H2,1-3H3
InChIKeyLRAOIJKKSUHTRX-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.89
Rot. Bonds8

About 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile

3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile (PubChem CID 60691302) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile
PubChem CID60691302
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile
SMILESCCOCCN(CCC#N)CC(C)C
InChIInChI=1S/C11H22N2O/c1-4-14-9-8-13(7-5-6-12)10-11(2)3/h11H,4-5,7-10H2,1-3H3
InChIKeyLRAOIJKKSUHTRX-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
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 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile (CID 60691302) is 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile is CCOCCN(CCC#N)CC(C)C.
What is the InChIKey of 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile?
The InChIKey is LRAOIJKKSUHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-9-8-13(7-5-6-12)10-11(2)3/h11H,4-5,7-10H2,1-3H3.
What are the key properties of 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile?
3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile has a molecular weight of 198.31 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 60691302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).