3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile

C9H19N3O — CID 62843290

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
SMILESCOCCN(C)CCNCCC#N
InChIInChI=1S/C9H19N3O/c1-12(8-9-13-2)7-6-11-5-3-4-10/h11H,3,5-9H2,1-2H3
InChIKeyPROJTZOOPZIOPE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.07
Rot. Bonds8

About 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile

3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile (PubChem CID 62843290) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
PubChem CID62843290
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
SMILESCOCCN(C)CCNCCC#N
InChIInChI=1S/C9H19N3O/c1-12(8-9-13-2)7-6-11-5-3-4-10/h11H,3,5-9H2,1-2H3
InChIKeyPROJTZOOPZIOPE-UHFFFAOYSA-N
XLogP0.07
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile (CID 62843290) is 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile is COCCN(C)CCNCCC#N.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile?
The InChIKey is PROJTZOOPZIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(8-9-13-2)7-6-11-5-3-4-10/h11H,3,5-9H2,1-2H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile?
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile has a molecular weight of 185.27 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile is sourced from PubChem (CID 62843290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).