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

C13H24N2O — CID 55220555

IUPAC3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-16-11-10-15(9-5-8-14)12-13-6-3-2-4-7-13/h13H,2-7,9-12H2,1H3
InChIKeyKDIMDAGKMBAZHT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.43
Rot. Bonds7

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

3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 55220555) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile
PubChem CID55220555
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-16-11-10-15(9-5-8-14)12-13-6-3-2-4-7-13/h13H,2-7,9-12H2,1H3
InChIKeyKDIMDAGKMBAZHT-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile (CID 55220555) is 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is KDIMDAGKMBAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-11-10-15(9-5-8-14)12-13-6-3-2-4-7-13/h13H,2-7,9-12H2,1H3.
What are the key properties of 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile?
3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 55220555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).