2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile

C15H18N2O2 — CID 55152539

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O2/c16-9-12-2-1-3-13(12)17-10-11-4-5-14-15(8-11)19-7-6-18-14/h4-5,8,12-13,17H,1-3,6-7,10H2
InChIKeyZQVMUJSAKMYFAB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile (PubChem CID 55152539) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
PubChem CID55152539
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N2O2/c16-9-12-2-1-3-13(12)17-10-11-4-5-14-15(8-11)19-7-6-18-14/h4-5,8,12-13,17H,1-3,6-7,10H2
InChIKeyZQVMUJSAKMYFAB-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
CID 62743130
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 65021627
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62087852
2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
CID 102910834
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]cyclopentane-1-carbonitrile
CID 62963122
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile (CID 55152539) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile?
The InChIKey is ZQVMUJSAKMYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-12-2-1-3-13(12)17-10-11-4-5-14-15(8-11)19-7-6-18-14/h4-5,8,12-13,17H,1-3,6-7,10H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile?
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 55152539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).