2-bromo-6-(3-cyclopentylpropylamino)benzonitrile

C15H19BrN2 — CID 106011522

IUPAC2-bromo-6-(3-cyclopentylpropylamino)benzonitrile
SMILESN#Cc1c(Br)cccc1NCCCC1CCCC1
InChIInChI=1S/C15H19BrN2/c16-14-8-3-9-15(13(14)11-17)18-10-4-7-12-5-1-2-6-12/h3,8-9,12,18H,1-2,4-7,10H2
InChIKeyJMOVDBRHEMHWCG-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.70
Rot. Bonds5

About 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile

2-bromo-6-(3-cyclopentylpropylamino)benzonitrile (PubChem CID 106011522) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(3-cyclopentylpropylamino)benzonitrile
PubChem CID106011522
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name2-bromo-6-(3-cyclopentylpropylamino)benzonitrile
SMILESN#Cc1c(Br)cccc1NCCCC1CCCC1
InChIInChI=1S/C15H19BrN2/c16-14-8-3-9-15(13(14)11-17)18-10-4-7-12-5-1-2-6-12/h3,8-9,12,18H,1-2,4-7,10H2
InChIKeyJMOVDBRHEMHWCG-UHFFFAOYSA-N
XLogP4.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-6-(3-cyclopentylpropylamino)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

5-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865046
4-Bromo-2-(methylamino)benzonitrile
CID 24903089
4-Bromo-2,3-dihydro-1H-indole
CID 13098386
3-bromo-4-methyl-N-(propan-2-yl)aniline
CID 23291925
4-Bromo-2-(isopropylamino)benzonitrile
CID 24903091
5-Bromo-1,2,3,4-tetrahydroquinoline hydrochloride
CID 46238398
2-Bromo-6-(methylamino)benzonitrile
CID 75360864
2-Bromo-4-(methylamino)benzonitrile
CID 107275723
2-Anilino-2-(4-bromophenyl)acetonitrile
CID 4458488
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine
CID 16244474
4-(((3-Bromophenyl)amino)methyl)-3-fluorobenzonitrile
CID 28581246
5-Bromo-2-(propylamino)benzonitrile
CID 82708560

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile?
The IUPAC name of 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile (CID 106011522) is 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile.
What is the SMILES notation for 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile?
The canonical SMILES for 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile is N#Cc1c(Br)cccc1NCCCC1CCCC1.
What is the InChIKey of 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile?
The InChIKey is JMOVDBRHEMHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-14-8-3-9-15(13(14)11-17)18-10-4-7-12-5-1-2-6-12/h3,8-9,12,18H,1-2,4-7,10H2.
What are the key properties of 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile?
2-bromo-6-(3-cyclopentylpropylamino)benzonitrile has a molecular weight of 307.23 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-cyclopentylpropylamino)benzonitrile is sourced from PubChem (CID 106011522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).