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

C11H22N2O2 — CID 103179685

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

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

3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 103179685) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID103179685
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOCCCOCCN(C)CC(C)C#N
InChIInChI=1S/C11H22N2O2/c1-11(9-12)10-13(2)5-8-15-7-4-6-14-3/h11H,4-8,10H2,1-3H3
InChIKeyNESDLQITTVQNLT-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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

2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
CID 103909902
3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
CID 103908563
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
2-methyl-3-[methyl(pentyl)amino]propanenitrile
CID 43294879
2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
CID 63010066
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
2-amino-4-(3-methoxypropoxy)butanenitrile
CID 63028773

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile (CID 103179685) is 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile is COCCCOCCN(C)CC(C)C#N.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is NESDLQITTVQNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(9-12)10-13(2)5-8-15-7-4-6-14-3/h11H,4-8,10H2,1-3H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile?
3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 214.31 g/mol, XLogP of 1.13, 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]-2-methylpropanenitrile is sourced from PubChem (CID 103179685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).