2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile

C10H18N2O — CID 62741311

IUPAC2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile
SMILESCCOCCNC1CCCC1C#N
InChIInChI=1S/C10H18N2O/c1-2-13-7-6-12-10-5-3-4-9(10)8-11/h9-10,12H,2-7H2,1H3
InChIKeyYQALBWRVYBUUPS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds5

About 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile

2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile (PubChem CID 62741311) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile
PubChem CID62741311
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile
SMILESCCOCCNC1CCCC1C#N
InChIInChI=1S/C10H18N2O/c1-2-13-7-6-12-10-5-3-4-9(10)8-11/h9-10,12H,2-7H2,1H3
InChIKeyYQALBWRVYBUUPS-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
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-ethoxyethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile (CID 62741311) is 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile is CCOCCNC1CCCC1C#N.
What is the InChIKey of 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile?
The InChIKey is YQALBWRVYBUUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-13-7-6-12-10-5-3-4-9(10)8-11/h9-10,12H,2-7H2,1H3.
What are the key properties of 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile?
2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).