2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile

C17H22N2O2 — CID 62743130

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H22N2O2/c18-12-14-3-1-2-4-15(14)19-8-7-13-5-6-16-17(11-13)21-10-9-20-16/h5-6,11,14-15,19H,1-4,7-10H2
InChIKeyNSTOLXQGJZIORY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.67
Rot. Bonds4

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 62743130) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID62743130
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H22N2O2/c18-12-14-3-1-2-4-15(14)19-8-7-13-5-6-16-17(11-13)21-10-9-20-16/h5-6,11,14-15,19H,1-4,7-10H2
InChIKeyNSTOLXQGJZIORY-UHFFFAOYSA-N
XLogP2.67
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile 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-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 60713488
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
cis-(1R,2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 7108642
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiolan-3-amine
CID 43178288
1-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172455
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile (CID 62743130) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile is N#CC1CCCCC1NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is NSTOLXQGJZIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-12-14-3-1-2-4-15(14)19-8-7-13-5-6-16-17(11-13)21-10-9-20-16/h5-6,11,14-15,19H,1-4,7-10H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).