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

C12H22N2O — CID 63286539

IUPAC3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCCC1
InChIInChI=1S/C12H22N2O/c1-15-10-9-14(8-4-7-13)11-12-5-2-3-6-12/h12H,2-6,8-11H2,1H3
InChIKeyDOMYQMMDBHAECU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds7

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

3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 63286539) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile
PubChem CID63286539
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCCC1
InChIInChI=1S/C12H22N2O/c1-15-10-9-14(8-4-7-13)11-12-5-2-3-6-12/h12H,2-6,8-11H2,1H3
InChIKeyDOMYQMMDBHAECU-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile (CID 63286539) is 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CC1CCCC1.
What is the InChIKey of 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is DOMYQMMDBHAECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-10-9-14(8-4-7-13)11-12-5-2-3-6-12/h12H,2-6,8-11H2,1H3.
What are the key properties of 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile?
3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63286539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).