1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane

C13H22BrN3 — CID 143127002

IUPAC1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
SMILESCC.CN(C)C1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C11H16BrN3.C2H6/c1-14(2)10-5-6-15(8-10)11-4-3-9(12)7-13-11;1-2/h3-4,7,10H,5-6,8H2,1-2H3;1-2H3
InChIKeyJISNHSLGCJYVMK-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane

1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane (PubChem CID 143127002) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
PubChem CID143127002
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
SMILESCC.CN(C)C1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C11H16BrN3.C2H6/c1-14(2)10-5-6-15(8-10)11-4-3-9(12)7-13-11;1-2/h3-4,7,10H,5-6,8H2,1-2H3;1-2H3
InChIKeyJISNHSLGCJYVMK-UHFFFAOYSA-N
XLogP3.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
CID 114961588
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 68506217
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 76848472

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane (CID 143127002) is 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane is CC.CN(C)C1CCN(c2ccc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane?
The InChIKey is JISNHSLGCJYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.C2H6/c1-14(2)10-5-6-15(8-10)11-4-3-9(12)7-13-11;1-2/h3-4,7,10H,5-6,8H2,1-2H3;1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane?
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane has a molecular weight of 300.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane is sourced from PubChem (CID 143127002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).