N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

C15H24BrN3 — CID 75443236

IUPACN-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(c2ccc(Br)c(C)n2)C1
InChIInChI=1S/C15H24BrN3/c1-4-8-18(3)10-13-7-9-19(11-13)15-6-5-14(16)12(2)17-15/h5-6,13H,4,7-11H2,1-3H3
InChIKeyJVVUXOUTPRATFP-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.32
Rot. Bonds5

About N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 75443236) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID75443236
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(c2ccc(Br)c(C)n2)C1
InChIInChI=1S/C15H24BrN3/c1-4-8-18(3)10-13-7-9-19(11-13)15-6-5-14(16)12(2)17-15/h5-6,13H,4,7-11H2,1-3H3
InChIKeyJVVUXOUTPRATFP-UHFFFAOYSA-N
XLogP3.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (CID 75443236) is N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is CCCN(C)CC1CCN(c2ccc(Br)c(C)n2)C1.
What is the InChIKey of N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is JVVUXOUTPRATFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-4-8-18(3)10-13-7-9-19(11-13)15-6-5-14(16)12(2)17-15/h5-6,13H,4,7-11H2,1-3H3.
What are the key properties of N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 75443236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).