4-[2-ethoxyethyl(ethyl)amino]butanenitrile

C10H20N2O — CID 63697379

IUPAC4-[2-ethoxyethyl(ethyl)amino]butanenitrile
SMILESCCOCCN(CC)CCCC#N
InChIInChI=1S/C10H20N2O/c1-3-12(8-6-5-7-11)9-10-13-4-2/h3-6,8-10H2,1-2H3
InChIKeyDGONYTGRXQOSJY-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.65
Rot. Bonds8

About 4-[2-ethoxyethyl(ethyl)amino]butanenitrile

4-[2-ethoxyethyl(ethyl)amino]butanenitrile (PubChem CID 63697379) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(ethyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[2-ethoxyethyl(ethyl)amino]butanenitrile
PubChem CID63697379
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[2-ethoxyethyl(ethyl)amino]butanenitrile
SMILESCCOCCN(CC)CCCC#N
InChIInChI=1S/C10H20N2O/c1-3-12(8-6-5-7-11)9-10-13-4-2/h3-6,8-10H2,1-2H3
InChIKeyDGONYTGRXQOSJY-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.65
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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Related Compounds

2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63692096
7-(diethylamino)heptanenitrile
CID 3857194
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
CID 54560247
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
5-[4-cyanobutyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]pentanenitrile
CID 88853553
3-[3,3-diethoxypropyl(ethyl)amino]propanenitrile
CID 63628604
butanenitrile;2-[3-[2-(2-hydroxyethoxy)ethyl-propylamino]propoxy]ethanol
CID 144560794

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
The IUPAC name of 4-[2-ethoxyethyl(ethyl)amino]butanenitrile (CID 63697379) is 4-[2-ethoxyethyl(ethyl)amino]butanenitrile.
What is the SMILES notation for 4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
The canonical SMILES for 4-[2-ethoxyethyl(ethyl)amino]butanenitrile is CCOCCN(CC)CCCC#N.
What is the InChIKey of 4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
The InChIKey is DGONYTGRXQOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12(8-6-5-7-11)9-10-13-4-2/h3-6,8-10H2,1-2H3.
What are the key properties of 4-[2-ethoxyethyl(ethyl)amino]butanenitrile?
4-[2-ethoxyethyl(ethyl)amino]butanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(ethyl)amino]butanenitrile is sourced from PubChem (CID 63697379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).