2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile

C15H22N2 — CID 55153862

IUPAC2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)C1CC2C=CC1C2
InChIInChI=1S/C15H22N2/c1-10(14-8-11-5-6-12(14)7-11)17-15-4-2-3-13(15)9-16/h5-6,10-15,17H,2-4,7-8H2,1H3
InChIKeyYGCZNCYOEMAVFM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 55153862) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID55153862
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)C1CC2C=CC1C2
InChIInChI=1S/C15H22N2/c1-10(14-8-11-5-6-12(14)7-11)17-15-4-2-3-13(15)9-16/h5-6,10-15,17H,2-4,7-8H2,1H3
InChIKeyYGCZNCYOEMAVFM-UHFFFAOYSA-N
XLogP2.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile (CID 55153862) is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)C1CC2C=CC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is YGCZNCYOEMAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(14-8-11-5-6-12(14)7-11)17-15-4-2-3-13(15)9-16/h5-6,10-15,17H,2-4,7-8H2,1H3.
What are the key properties of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile?
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 230.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).