3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile

C8H16N2O — CID 61427361

IUPAC3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile
SMILESCOCCN(C)CC(C)C#N
InChIInChI=1S/C8H16N2O/c1-8(6-9)7-10(2)4-5-11-3/h8H,4-5,7H2,1-3H3
InChIKeyBPRQDSMVDOLZJP-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.72
Rot. Bonds5

About 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile

3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile (PubChem CID 61427361) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile
PubChem CID61427361
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile
SMILESCOCCN(C)CC(C)C#N
InChIInChI=1S/C8H16N2O/c1-8(6-9)7-10(2)4-5-11-3/h8H,4-5,7H2,1-3H3
InChIKeyBPRQDSMVDOLZJP-UHFFFAOYSA-N
XLogP0.72
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile (CID 61427361) is 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile is COCCN(C)CC(C)C#N.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is BPRQDSMVDOLZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(6-9)7-10(2)4-5-11-3/h8H,4-5,7H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile?
3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61427361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).