N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine

C15H25BrN4 — CID 62888353

IUPACN-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1N1CCCC1CN(C)C
InChIInChI=1S/C15H25BrN4/c1-4-17-9-12-8-13(16)10-18-15(12)20-7-5-6-14(20)11-19(2)3/h8,10,14,17H,4-7,9,11H2,1-3H3
InChIKeyPHTOBXILXYXZRE-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.48
Rot. Bonds6

About N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 62888353) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID62888353
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC NameN-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1N1CCCC1CN(C)C
InChIInChI=1S/C15H25BrN4/c1-4-17-9-12-8-13(16)10-18-15(12)20-7-5-6-14(20)11-19(2)3/h8,10,14,17H,4-7,9,11H2,1-3H3
InChIKeyPHTOBXILXYXZRE-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 N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine (CID 62888353) is N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1N1CCCC1CN(C)C.
What is the InChIKey of N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is PHTOBXILXYXZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-4-17-9-12-8-13(16)10-18-15(12)20-7-5-6-14(20)11-19(2)3/h8,10,14,17H,4-7,9,11H2,1-3H3.
What are the key properties of N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine 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 N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62888353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).