2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile

C12H22N2O — CID 55249856

IUPAC2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile
SMILESCCOCCN(CC)C1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-3-14(8-9-15-4-2)12-7-5-6-11(12)10-13/h11-12H,3-9H2,1-2H3
InChIKeyGICOMMIWBLQCNO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds6

About 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile

2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile (PubChem CID 55249856) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile
PubChem CID55249856
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile
SMILESCCOCCN(CC)C1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-3-14(8-9-15-4-2)12-7-5-6-11(12)10-13/h11-12H,3-9H2,1-2H3
InChIKeyGICOMMIWBLQCNO-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile (CID 55249856) is 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile is CCOCCN(CC)C1CCCC1C#N.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is GICOMMIWBLQCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-14(8-9-15-4-2)12-7-5-6-11(12)10-13/h11-12H,3-9H2,1-2H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile?
2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55249856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).