2-(2-butoxyethylamino)cyclopentane-1-carbonitrile

C12H22N2O — CID 62742064

IUPAC2-(2-butoxyethylamino)cyclopentane-1-carbonitrile
SMILESCCCCOCCNC1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-2-3-8-15-9-7-14-12-6-4-5-11(12)10-13/h11-12,14H,2-9H2,1H3
InChIKeyHRSFBRWCLBQCTI-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds7

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

2-(2-butoxyethylamino)cyclopentane-1-carbonitrile (PubChem CID 62742064) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-butoxyethylamino)cyclopentane-1-carbonitrile
PubChem CID62742064
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(2-butoxyethylamino)cyclopentane-1-carbonitrile
SMILESCCCCOCCNC1CCCC1C#N
InChIInChI=1S/C12H22N2O/c1-2-3-8-15-9-7-14-12-6-4-5-11(12)10-13/h11-12,14H,2-9H2,1H3
InChIKeyHRSFBRWCLBQCTI-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
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-butoxyethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile (CID 62742064) is 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile is CCCCOCCNC1CCCC1C#N.
What is the InChIKey of 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile?
The InChIKey is HRSFBRWCLBQCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-8-15-9-7-14-12-6-4-5-11(12)10-13/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile?
2-(2-butoxyethylamino)cyclopentane-1-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).