3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile

C11H22N2O2 — CID 103908563

IUPAC3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
SMILESCOCCCOCCN(C)C(C)CC#N
InChIInChI=1S/C11H22N2O2/c1-11(5-6-12)13(2)7-10-15-9-4-8-14-3/h11H,4-5,7-10H2,1-3H3
InChIKeyXIQSGVBPOVALFC-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.27
Rot. Bonds9

About 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile

3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile (PubChem CID 103908563) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
PubChem CID103908563
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
SMILESCOCCCOCCN(C)C(C)CC#N
InChIInChI=1S/C11H22N2O2/c1-11(5-6-12)13(2)7-10-15-9-4-8-14-3/h11H,4-5,7-10H2,1-3H3
InChIKeyXIQSGVBPOVALFC-UHFFFAOYSA-N
XLogP1.27
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chloroethoxy)ethyl-methylamino]butanenitrile
CID 63666896
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
CID 103909902
3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
CID 103179685
3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
3-[methyl(4-methylpentyl)amino]butanenitrile
CID 83155678
3-[1-methoxypropan-2-yl(methyl)amino]butanenitrile
CID 61451257
3-[2-aminoethyl(methyl)amino]butanenitrile
CID 62687203
3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
CID 61361621
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile (CID 103908563) is 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile is COCCCOCCN(C)C(C)CC#N.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile?
The InChIKey is XIQSGVBPOVALFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(5-6-12)13(2)7-10-15-9-4-8-14-3/h11H,4-5,7-10H2,1-3H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile?
3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile has a molecular weight of 214.31 g/mol, XLogP of 1.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile is sourced from PubChem (CID 103908563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).