5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile

C13H15BrN2 — CID 114890449

IUPAC5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
SMILESCN(c1ccc(Br)cc1C#N)C1CCCC1
InChIInChI=1S/C13H15BrN2/c1-16(12-4-2-3-5-12)13-7-6-11(14)8-10(13)9-15/h6-8,12H,2-5H2,1H3
InChIKeyNPTNUIGBKPVFMD-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.70
Rot. Bonds2

About 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile

5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile (PubChem CID 114890449) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
PubChem CID114890449
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile
SMILESCN(c1ccc(Br)cc1C#N)C1CCCC1
InChIInChI=1S/C13H15BrN2/c1-16(12-4-2-3-5-12)13-7-6-11(14)8-10(13)9-15/h6-8,12H,2-5H2,1H3
InChIKeyNPTNUIGBKPVFMD-UHFFFAOYSA-N
XLogP3.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 102632143
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-5-bromobenzonitrile
CID 114893906
4-bromo-2-[cyclopropyl(methyl)amino]benzonitrile
CID 114901416
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
CID 63668009
4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
CID 63093750
5-bromo-2-[cyclopropyl(3-methylbutyl)amino]benzonitrile
CID 114890575
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
CID 115658423
5-bromo-2-[2-[cyclopentyl(methyl)amino]ethylamino]benzonitrile
CID 114890677
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile?
The IUPAC name of 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile (CID 114890449) is 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile?
The canonical SMILES for 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile is CN(c1ccc(Br)cc1C#N)C1CCCC1.
What is the InChIKey of 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile?
The InChIKey is NPTNUIGBKPVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-16(12-4-2-3-5-12)13-7-6-11(14)8-10(13)9-15/h6-8,12H,2-5H2,1H3.
What are the key properties of 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile?
5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile has a molecular weight of 279.18 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopentyl(methyl)amino]benzonitrile is sourced from PubChem (CID 114890449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).