2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile

C16H18N2O — CID 55152162

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1cc2ccccc2o1
InChIInChI=1S/C16H18N2O/c1-11(18-14-7-4-6-13(14)10-17)16-9-12-5-2-3-8-15(12)19-16/h2-3,5,8-9,11,13-14,18H,4,6-7H2,1H3
InChIKeyLVFXADJJZCHJKA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.78
Rot. Bonds3

About 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile

2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 55152162) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID55152162
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1cc2ccccc2o1
InChIInChI=1S/C16H18N2O/c1-11(18-14-7-4-6-13(14)10-17)16-9-12-5-2-3-8-15(12)19-16/h2-3,5,8-9,11,13-14,18H,4,6-7H2,1H3
InChIKeyLVFXADJJZCHJKA-UHFFFAOYSA-N
XLogP3.78
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
2-(1-pyridin-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62741303
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62743330
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile (CID 55152162) is 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is LVFXADJJZCHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(18-14-7-4-6-13(14)10-17)16-9-12-5-2-3-8-15(12)19-16/h2-3,5,8-9,11,13-14,18H,4,6-7H2,1H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile?
2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55152162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).