1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C13H20BrN3 — CID 107083279

IUPAC1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cc(CBr)cnc1N1CCC(N(C)C)C1
InChIInChI=1S/C13H20BrN3/c1-10-6-11(7-14)8-15-13(10)17-5-4-12(9-17)16(2)3/h6,8,12H,4-5,7,9H2,1-3H3
InChIKeyCJPLDUCVEYENEH-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.43
Rot. Bonds3

About 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 107083279) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID107083279
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cc(CBr)cnc1N1CCC(N(C)C)C1
InChIInChI=1S/C13H20BrN3/c1-10-6-11(7-14)8-15-13(10)17-5-4-12(9-17)16(2)3/h6,8,12H,4-5,7,9H2,1-3H3
InChIKeyCJPLDUCVEYENEH-UHFFFAOYSA-N
XLogP2.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
5-(bromomethyl)-3-methyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 107085109
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
CID 107083540

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 107083279) is 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is Cc1cc(CBr)cnc1N1CCC(N(C)C)C1.
What is the InChIKey of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is CJPLDUCVEYENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-6-11(7-14)8-15-13(10)17-5-4-12(9-17)16(2)3/h6,8,12H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 298.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 107083279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).