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

C10H20N2O2 — CID 60649308

IUPAC3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile
SMILESCOCCN(CCOC)CC(C)C#N
InChIInChI=1S/C10H20N2O2/c1-10(8-11)9-12(4-6-13-2)5-7-14-3/h10H,4-7,9H2,1-3H3
InChIKeyBKKBVGBCIPLLTF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.74
Rot. Bonds8

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

3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile (PubChem CID 60649308) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile
PubChem CID60649308
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile
SMILESCOCCN(CCOC)CC(C)C#N
InChIInChI=1S/C10H20N2O2/c1-10(8-11)9-12(4-6-13-2)5-7-14-3/h10H,4-7,9H2,1-3H3
InChIKeyBKKBVGBCIPLLTF-UHFFFAOYSA-N
XLogP0.74
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile (CID 60649308) is 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile is COCCN(CCOC)CC(C)C#N.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile?
The InChIKey is BKKBVGBCIPLLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(8-11)9-12(4-6-13-2)5-7-14-3/h10H,4-7,9H2,1-3H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile?
3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile has a molecular weight of 200.28 g/mol, XLogP of 0.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 60649308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).