6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine

C12H16BrN3 — CID 115558883

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
SMILESNc1cnc(N2CC3CCCC3C2)c(Br)c1
InChIInChI=1S/C12H16BrN3/c13-11-4-10(14)5-15-12(11)16-6-8-2-1-3-9(8)7-16/h4-5,8-9H,1-3,6-7,14H2
InChIKeyGUHUTHCKHHDMGI-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.66
Rot. Bonds1

About 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine (PubChem CID 115558883) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
PubChem CID115558883
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
SMILESNc1cnc(N2CC3CCCC3C2)c(Br)c1
InChIInChI=1S/C12H16BrN3/c13-11-4-10(14)5-15-12(11)16-6-8-2-1-3-9(8)7-16/h4-5,8-9H,1-3,6-7,14H2
InChIKeyGUHUTHCKHHDMGI-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine with MolForge

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
CID 113335499
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromopyridin-3-amine
CID 79535543
2-(3-bromo-5-chloro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114836392
6-(3,5-dibromo-2-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683333
5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 79535102
5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
CID 79532466
5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine
CID 82060945
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624
6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
CID 79530696
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634
5-bromo-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79535453

Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine (CID 115558883) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine is Nc1cnc(N2CC3CCCC3C2)c(Br)c1.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine?
The InChIKey is GUHUTHCKHHDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c13-11-4-10(14)5-15-12(11)16-6-8-2-1-3-9(8)7-16/h4-5,8-9H,1-3,6-7,14H2.
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine has a molecular weight of 282.19 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine is sourced from PubChem (CID 115558883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).