1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine

C15H25BrN4 — CID 63169019

IUPAC1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ncc(Br)cc2CNC)C1
InChIInChI=1S/C15H25BrN4/c1-4-19(5-2)14-6-7-20(11-14)15-12(9-17-3)8-13(16)10-18-15/h8,10,14,17H,4-7,9,11H2,1-3H3
InChIKeyJUIUMSVDDVMCBM-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.48
Rot. Bonds6

About 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine

1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63169019) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63169019
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ncc(Br)cc2CNC)C1
InChIInChI=1S/C15H25BrN4/c1-4-19(5-2)14-6-7-20(11-14)15-12(9-17-3)8-13(16)10-18-15/h8,10,14,17H,4-7,9,11H2,1-3H3
InChIKeyJUIUMSVDDVMCBM-UHFFFAOYSA-N
XLogP2.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine (CID 63169019) is 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2ncc(Br)cc2CNC)C1.
What is the InChIKey of 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is JUIUMSVDDVMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-4-19(5-2)14-6-7-20(11-14)15-12(9-17-3)8-13(16)10-18-15/h8,10,14,17H,4-7,9,11H2,1-3H3.
What are the key properties of 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine?
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 341.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63169019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).