1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H25BrN4 — CID 81470154

IUPAC1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1cc(Br)cnc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H25BrN4/c1-5-17-7-12-6-13(16)8-18-15(12)20-9-11(2)14(10-20)19(3)4/h6,8,11,14,17H,5,7,9-10H2,1-4H3
InChIKeyMCXMYKQCVOEWCP-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.34
Rot. Bonds5

About 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81470154) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81470154
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1cc(Br)cnc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H25BrN4/c1-5-17-7-12-6-13(16)8-18-15(12)20-9-11(2)14(10-20)19(3)4/h6,8,11,14,17H,5,7,9-10H2,1-4H3
InChIKeyMCXMYKQCVOEWCP-UHFFFAOYSA-N
XLogP2.34
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.34
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-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81470154) is 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNCc1cc(Br)cnc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is MCXMYKQCVOEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-5-17-7-12-6-13(16)8-18-15(12)20-9-11(2)14(10-20)19(3)4/h6,8,11,14,17H,5,7,9-10H2,1-4H3.
What are the key properties of 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 341.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81470154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).