2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile

C14H16N2O2 — CID 62670734

IUPAC2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O2/c15-8-12(16-11-3-1-2-4-11)10-5-6-13-14(7-10)18-9-17-13/h5-7,11-12,16H,1-4,9H2
InChIKeyUGIJOPYWVISAGJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile

2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile (PubChem CID 62670734) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
PubChem CID62670734
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O2/c15-8-12(16-11-3-1-2-4-11)10-5-6-13-14(7-10)18-9-17-13/h5-7,11-12,16H,1-4,9H2
InChIKeyUGIJOPYWVISAGJ-UHFFFAOYSA-N
XLogP2.51
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899
(2S)-2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)acetonitrile
CID 28700976
2-(cyclopropylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile
CID 60870508
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
(2S)-2-(benzhydrylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile
CID 101483032
2-(1,3-benzodioxol-5-yl)-3-cyclopentyl-3-oxopropanenitrile
CID 43334684
2-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetonitrile
CID 55104852

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile (CID 62670734) is 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile is N#CC(NC1CCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile?
The InChIKey is UGIJOPYWVISAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-12(16-11-3-1-2-4-11)10-5-6-13-14(7-10)18-9-17-13/h5-7,11-12,16H,1-4,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile?
2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile has a molecular weight of 244.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile is sourced from PubChem (CID 62670734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).