2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile

C16H20N2O — CID 54894336

IUPAC2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H20N2O/c17-11-15(18-14-4-2-1-3-5-14)12-6-7-16-13(10-12)8-9-19-16/h6-7,10,14-15,18H,1-5,8-9H2
InChIKeyDSCNWBDQUMVGPI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds3

About 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile

2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile (PubChem CID 54894336) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
PubChem CID54894336
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H20N2O/c17-11-15(18-14-4-2-1-3-5-14)12-6-7-16-13(10-12)8-9-19-16/h6-7,10,14-15,18H,1-5,8-9H2
InChIKeyDSCNWBDQUMVGPI-UHFFFAOYSA-N
XLogP3.11
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
2-(cyclopropylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile
CID 60870508
2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
CID 62670734
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
(2S)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)acetonitrile
CID 28700976
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylanilino)acetonitrile
CID 60986622
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile (CID 54894336) is 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile is N#CC(NC1CCCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
The InChIKey is DSCNWBDQUMVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-11-15(18-14-4-2-1-3-5-14)12-6-7-16-13(10-12)8-9-19-16/h6-7,10,14-15,18H,1-5,8-9H2.
What are the key properties of 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile?
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile has a molecular weight of 256.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile is sourced from PubChem (CID 54894336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).