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

C9H18N2O2 — CID 3613298

IUPAC3-[bis(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCOC
InChIInChI=1S/C9H18N2O2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3,5-9H2,1-2H3
InChIKeyNTQWPRUBMQHXFZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.49
Rot. Bonds8

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

3-[bis(2-methoxyethyl)amino]propanenitrile (PubChem CID 3613298) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]propanenitrile
PubChem CID3613298
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[bis(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCOC
InChIInChI=1S/C9H18N2O2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3,5-9H2,1-2H3
InChIKeyNTQWPRUBMQHXFZ-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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]propanenitrile (CID 3613298) is 3-[bis(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CCOC.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]propanenitrile?
The InChIKey is NTQWPRUBMQHXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3,5-9H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]propanenitrile?
3-[bis(2-methoxyethyl)amino]propanenitrile 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 3-[bis(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 3613298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).