3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile

C10H18N2O — CID 76994141

IUPAC3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile
SMILESCC=CCN(CCC#N)CCOC
InChIInChI=1S/C10H18N2O/c1-3-4-7-12(8-5-6-11)9-10-13-2/h3-4H,5,7-10H2,1-2H3
InChIKeySUPRQIRMVUVTDK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.42
Rot. Bonds7

About 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile

3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 76994141) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile
PubChem CID76994141
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile
SMILESCC=CCN(CCC#N)CCOC
InChIInChI=1S/C10H18N2O/c1-3-4-7-12(8-5-6-11)9-10-13-2/h3-4H,5,7-10H2,1-2H3
InChIKeySUPRQIRMVUVTDK-UHFFFAOYSA-N
XLogP1.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile (CID 76994141) is 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile is CC=CCN(CCC#N)CCOC.
What is the InChIKey of 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is SUPRQIRMVUVTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-7-12(8-5-6-11)9-10-13-2/h3-4H,5,7-10H2,1-2H3.
What are the key properties of 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile?
3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[but-2-enyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 76994141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).