4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile

C12H14BrN3 — CID 82809375

IUPAC4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(NC2CCCC2N)c(Br)c1
InChIInChI=1S/C12H14BrN3/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,16H,1-3,15H2
InChIKeyAVYKWZDCNBSTQT-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.61
Rot. Bonds2

About 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile

4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile (PubChem CID 82809375) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile.

Molecular Properties

Compound Name4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile
PubChem CID82809375
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(NC2CCCC2N)c(Br)c1
InChIInChI=1S/C12H14BrN3/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,16H,1-3,15H2
InChIKeyAVYKWZDCNBSTQT-UHFFFAOYSA-N
XLogP2.61
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocycloheptyl)amino]-3-methylbenzonitrile
CID 55168034
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromobenzonitrile
CID 43722925
3-bromo-4-[(3-hydroxycyclobutyl)amino]benzonitrile
CID 82798190
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-bromobenzonitrile
CID 102738833
3-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzonitrile
CID 82713628
3-bromo-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 82796868
3-bromo-4-[[3-(2-methylpropyl)cyclohexyl]amino]benzonitrile
CID 107428188
4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
CID 113460277
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
CID 63252046
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile?
The IUPAC name of 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile (CID 82809375) is 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile.
What is the SMILES notation for 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile?
The canonical SMILES for 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile is N#Cc1ccc(NC2CCCC2N)c(Br)c1.
What is the InChIKey of 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile?
The InChIKey is AVYKWZDCNBSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,16H,1-3,15H2.
What are the key properties of 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile?
4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile has a molecular weight of 280.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile is sourced from PubChem (CID 82809375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).