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

C9H18N2O2 — CID 103909902

IUPAC2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
SMILESCOCCCOCCN(C)CC#N
InChIInChI=1S/C9H18N2O2/c1-11(5-4-10)6-9-13-8-3-7-12-2/h3,5-9H2,1-2H3
InChIKeyWFGNJXVKUKGHTK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.49
Rot. Bonds8

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

2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile (PubChem CID 103909902) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
PubChem CID103909902
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
SMILESCOCCCOCCN(C)CC#N
InChIInChI=1S/C9H18N2O2/c1-11(5-4-10)6-9-13-8-3-7-12-2/h3,5-9H2,1-2H3
InChIKeyWFGNJXVKUKGHTK-UHFFFAOYSA-N
XLogP0.49
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
CID 103179685
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
CID 103908563
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
CID 103179680
2-[cyanomethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715078
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile (CID 103909902) is 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile is COCCCOCCN(C)CC#N.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile?
The InChIKey is WFGNJXVKUKGHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(5-4-10)6-9-13-8-3-7-12-2/h3,5-9H2,1-2H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile?
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile has a molecular weight of 186.25 g/mol, XLogP of 0.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile is sourced from PubChem (CID 103909902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).