3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile

C11H20N2O2 — CID 103856902

IUPAC3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)C1CCCOC1
InChIInChI=1S/C11H20N2O2/c1-14-9-7-13(6-3-5-12)11-4-2-8-15-10-11/h11H,2-4,6-10H2,1H3
InChIKeyILQULBKXBVYXAF-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.03
Rot. Bonds6

About 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile

3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile (PubChem CID 103856902) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile
PubChem CID103856902
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)C1CCCOC1
InChIInChI=1S/C11H20N2O2/c1-14-9-7-13(6-3-5-12)11-4-2-8-15-10-11/h11H,2-4,6-10H2,1H3
InChIKeyILQULBKXBVYXAF-UHFFFAOYSA-N
XLogP1.03
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
CID 79903494
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
CID 79903333
3-[cyclohex-2-en-1-yl(2-methoxyethyl)amino]propanenitrile
CID 71868932
3-[methyl(oxepan-4-yl)amino]propanenitrile
CID 130694168
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanenitrile
CID 63286499
2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63287304
N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 52533901
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile (CID 103856902) is 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile is COCCN(CCC#N)C1CCCOC1.
What is the InChIKey of 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile?
The InChIKey is ILQULBKXBVYXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-14-9-7-13(6-3-5-12)11-4-2-8-15-10-11/h11H,2-4,6-10H2,1H3.
What are the key properties of 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile?
3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile has a molecular weight of 212.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile is sourced from PubChem (CID 103856902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).