3-bromo-5-(2-cyclopentylethylamino)benzonitrile

C14H17BrN2 — CID 102815486

IUPAC3-bromo-5-(2-cyclopentylethylamino)benzonitrile
SMILESN#Cc1cc(Br)cc(NCCC2CCCC2)c1
InChIInChI=1S/C14H17BrN2/c15-13-7-12(10-16)8-14(9-13)17-6-5-11-3-1-2-4-11/h7-9,11,17H,1-6H2
InChIKeyMRSPDJMFLHWYHD-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.31
Rot. Bonds4

About 3-bromo-5-(2-cyclopentylethylamino)benzonitrile

3-bromo-5-(2-cyclopentylethylamino)benzonitrile (PubChem CID 102815486) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-bromo-5-(2-cyclopentylethylamino)benzonitrile.

Molecular Properties

Compound Name3-bromo-5-(2-cyclopentylethylamino)benzonitrile
PubChem CID102815486
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name3-bromo-5-(2-cyclopentylethylamino)benzonitrile
SMILESN#Cc1cc(Br)cc(NCCC2CCCC2)c1
InChIInChI=1S/C14H17BrN2/c15-13-7-12(10-16)8-14(9-13)17-6-5-11-3-1-2-4-11/h7-9,11,17H,1-6H2
InChIKeyMRSPDJMFLHWYHD-UHFFFAOYSA-N
XLogP4.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-(2-cyclopentylethylamino)benzonitrile 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

3-bromo-5-(cyclohexylmethylamino)benzonitrile
CID 102815338
3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
CID 102817361
3-bromo-5-(oxan-4-ylmethylamino)benzonitrile
CID 102816464
3-bromo-5-(2-methoxyethylamino)benzonitrile
CID 68773351
3-bromo-5-(but-3-enylamino)benzonitrile
CID 102817312
3-bromo-5-(thiolan-2-ylmethylamino)benzonitrile
CID 102816929
3-bromo-5-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418671
3-bromo-5-(2,2-difluoroethylamino)benzonitrile
CID 102817004
3-bromo-5-[[(E)-pent-3-enyl]amino]benzonitrile
CID 102817309
3-bromo-5-(3-butoxypropylamino)benzonitrile
CID 102817372
3-bromo-5-(2-cyclobutylethoxy)benzonitrile
CID 106201558
3-(3-bromo-5-cyanoanilino)propane-1-sulfonamide
CID 102816035

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-cyclopentylethylamino)benzonitrile?
The IUPAC name of 3-bromo-5-(2-cyclopentylethylamino)benzonitrile (CID 102815486) is 3-bromo-5-(2-cyclopentylethylamino)benzonitrile.
What is the SMILES notation for 3-bromo-5-(2-cyclopentylethylamino)benzonitrile?
The canonical SMILES for 3-bromo-5-(2-cyclopentylethylamino)benzonitrile is N#Cc1cc(Br)cc(NCCC2CCCC2)c1.
What is the InChIKey of 3-bromo-5-(2-cyclopentylethylamino)benzonitrile?
The InChIKey is MRSPDJMFLHWYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-13-7-12(10-16)8-14(9-13)17-6-5-11-3-1-2-4-11/h7-9,11,17H,1-6H2.
What are the key properties of 3-bromo-5-(2-cyclopentylethylamino)benzonitrile?
3-bromo-5-(2-cyclopentylethylamino)benzonitrile has a molecular weight of 293.21 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-cyclopentylethylamino)benzonitrile is sourced from PubChem (CID 102815486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).