2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile

C13H25N3O — CID 55227108

IUPAC2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCOCCN(CC)CC(C)(C#N)NC1CC1
InChIInChI=1S/C13H25N3O/c1-4-16(8-9-17-5-2)11-13(3,10-14)15-12-6-7-12/h12,15H,4-9,11H2,1-3H3
InChIKeyLOYGRYCUNCWENF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds9

About 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile

2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile (PubChem CID 55227108) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile
PubChem CID55227108
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCOCCN(CC)CC(C)(C#N)NC1CC1
InChIInChI=1S/C13H25N3O/c1-4-16(8-9-17-5-2)11-13(3,10-14)15-12-6-7-12/h12,15H,4-9,11H2,1-3H3
InChIKeyLOYGRYCUNCWENF-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
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 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile (CID 55227108) is 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile is CCOCCN(CC)CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile?
The InChIKey is LOYGRYCUNCWENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-16(8-9-17-5-2)11-13(3,10-14)15-12-6-7-12/h12,15H,4-9,11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile?
2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 55227108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).