2-(2-methoxyethylamino)cyclopentane-1-carbonitrile

C9H16N2O — CID 62741832

IUPAC2-(2-methoxyethylamino)cyclopentane-1-carbonitrile
SMILESCOCCNC1CCCC1C#N
InChIInChI=1S/C9H16N2O/c1-12-6-5-11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyBGBKMQMASFSSFT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.91
Rot. Bonds4

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

2-(2-methoxyethylamino)cyclopentane-1-carbonitrile (PubChem CID 62741832) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)cyclopentane-1-carbonitrile
PubChem CID62741832
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(2-methoxyethylamino)cyclopentane-1-carbonitrile
SMILESCOCCNC1CCCC1C#N
InChIInChI=1S/C9H16N2O/c1-12-6-5-11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3
InChIKeyBGBKMQMASFSSFT-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile (CID 62741832) is 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile is COCCNC1CCCC1C#N.
What is the InChIKey of 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
The InChIKey is BGBKMQMASFSSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-12-6-5-11-9-4-2-3-8(9)7-10/h8-9,11H,2-6H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
2-(2-methoxyethylamino)cyclopentane-1-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).