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

C9H16N2O — CID 28702673

IUPAC1-(2-methoxyethylamino)cyclopentane-1-carbonitrile
SMILESCOCCNC1(C#N)CCCC1
InChIInChI=1S/C9H16N2O/c1-12-7-6-11-9(8-10)4-2-3-5-9/h11H,2-7H2,1H3
InChIKeyVDXBONKXUXOLPK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.06
Rot. Bonds4

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

1-(2-methoxyethylamino)cyclopentane-1-carbonitrile (PubChem CID 28702673) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethylamino)cyclopentane-1-carbonitrile
PubChem CID28702673
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-methoxyethylamino)cyclopentane-1-carbonitrile
SMILESCOCCNC1(C#N)CCCC1
InChIInChI=1S/C9H16N2O/c1-12-7-6-11-9(8-10)4-2-3-5-9/h11H,2-7H2,1H3
InChIKeyVDXBONKXUXOLPK-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile (CID 28702673) is 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile is COCCNC1(C#N)CCCC1.
What is the InChIKey of 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
The InChIKey is VDXBONKXUXOLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-12-7-6-11-9(8-10)4-2-3-5-9/h11H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile?
1-(2-methoxyethylamino)cyclopentane-1-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 28702673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).