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

C11H23N3O — CID 63286199

IUPAC3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile
SMILESCCNCCCN(CCC#N)CCOC
InChIInChI=1S/C11H23N3O/c1-3-13-7-5-9-14(8-4-6-12)10-11-15-2/h13H,3-5,7-11H2,1-2H3
InChIKeyMDXRJMXDBDDPBL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.85
Rot. Bonds10

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

3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63286199) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile
PubChem CID63286199
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile
SMILESCCNCCCN(CCC#N)CCOC
InChIInChI=1S/C11H23N3O/c1-3-13-7-5-9-14(8-4-6-12)10-11-15-2/h13H,3-5,7-11H2,1-2H3
InChIKeyMDXRJMXDBDDPBL-UHFFFAOYSA-N
XLogP0.85
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.85
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-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile (CID 63286199) is 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile is CCNCCCN(CCC#N)CCOC.
What is the InChIKey of 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is MDXRJMXDBDDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13-7-5-9-14(8-4-6-12)10-11-15-2/h13H,3-5,7-11H2,1-2H3.
What are the key properties of 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 213.32 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propyl-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63286199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).