2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile

C17H22N2O — CID 65446365

IUPAC2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile
SMILESN#CCN(CCc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C17H22N2O/c18-9-11-19(16-3-1-2-4-16)10-7-14-5-6-17-15(13-14)8-12-20-17/h5-6,13,16H,1-4,7-8,10-12H2
InChIKeyWVANBPAZVYTITK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.93
Rot. Bonds5

About 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile

2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile (PubChem CID 65446365) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile
PubChem CID65446365
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile
SMILESN#CCN(CCc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C17H22N2O/c18-9-11-19(16-3-1-2-4-16)10-7-14-5-6-17-15(13-14)8-12-20-17/h5-6,13,16H,1-4,7-8,10-12H2
InChIKeyWVANBPAZVYTITK-UHFFFAOYSA-N
XLogP2.93
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 102676649
4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol
CID 111488244
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
1-cyano-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylformamide
CID 115172701
4-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79117319
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
CID 82471341
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile (CID 65446365) is 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile is N#CCN(CCc1ccc2c(c1)CCO2)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile?
The InChIKey is WVANBPAZVYTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-9-11-19(16-3-1-2-4-16)10-7-14-5-6-17-15(13-14)8-12-20-17/h5-6,13,16H,1-4,7-8,10-12H2.
What are the key properties of 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile?
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile is sourced from PubChem (CID 65446365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).