2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile

C13H16BrN3 — CID 82707820

IUPAC2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1NC1CCCC1CN
InChIInChI=1S/C13H16BrN3/c14-11-4-5-13(10(6-11)8-16)17-12-3-1-2-9(12)7-15/h4-6,9,12,17H,1-3,7,15H2
InChIKeyDCNFUSJQYFWCEW-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.86
Rot. Bonds3

About 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile

2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile (PubChem CID 82707820) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile
PubChem CID82707820
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1NC1CCCC1CN
InChIInChI=1S/C13H16BrN3/c14-11-4-5-13(10(6-11)8-16)17-12-3-1-2-9(12)7-15/h4-6,9,12,17H,1-3,7,15H2
InChIKeyDCNFUSJQYFWCEW-UHFFFAOYSA-N
XLogP2.86
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopropyl)amino]-5-bromobenzonitrile
CID 114893877
5-bromo-2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 82708321
cis-(1R,2S)-2-(4-bromo-2-cyanoanilino)-N-methylcyclopentane-1-carboxamide
CID 129358528
4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
CID 113460277
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-bromobenzonitrile
CID 102738833
5-bromo-2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzonitrile
CID 82692143
4-[[2-(aminomethyl)cyclohexyl]amino]-2-methylbenzonitrile
CID 81278602
5-bromo-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817827
2-[[(1R,6S)-2-bicyclo[4.1.0]heptanyl]amino]-4-bromobenzonitrile
CID 112740196
5-bromo-2-[2-[cyclopentyl(methyl)amino]ethylamino]benzonitrile
CID 114890677
[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
CID 106358958
4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 114905279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile (CID 82707820) is 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile is N#Cc1cc(Br)ccc1NC1CCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile?
The InChIKey is DCNFUSJQYFWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-11-4-5-13(10(6-11)8-16)17-12-3-1-2-9(12)7-15/h4-6,9,12,17H,1-3,7,15H2.
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile?
2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile has a molecular weight of 294.20 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]amino]-5-bromobenzonitrile is sourced from PubChem (CID 82707820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).