3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile

C10H21N3O — CID 63690873

IUPAC3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
SMILESCCOCCN(CC)CC(C#N)NC
InChIInChI=1S/C10H21N3O/c1-4-13(6-7-14-5-2)9-10(8-11)12-3/h10,12H,4-7,9H2,1-3H3
InChIKeyZFFBLZLATIPFDZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds8

About 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile

3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile (PubChem CID 63690873) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
PubChem CID63690873
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
SMILESCCOCCN(CC)CC(C#N)NC
InChIInChI=1S/C10H21N3O/c1-4-13(6-7-14-5-2)9-10(8-11)12-3/h10,12H,4-7,9H2,1-3H3
InChIKeyZFFBLZLATIPFDZ-UHFFFAOYSA-N
XLogP0.46
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.46
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-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile (CID 63690873) is 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile is CCOCCN(CC)CC(C#N)NC.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile?
The InChIKey is ZFFBLZLATIPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-13(6-7-14-5-2)9-10(8-11)12-3/h10,12H,4-7,9H2,1-3H3.
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile?
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile has a molecular weight of 199.30 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile is sourced from PubChem (CID 63690873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).