2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine

C14H23BrN2 — CID 79718140

IUPAC2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ncc(Br)cc1C
InChIInChI=1S/C14H23BrN2/c1-5-7-16-13(6-2)11(4)14-10(3)8-12(15)9-17-14/h8-9,11,13,16H,5-7H2,1-4H3
InChIKeyKXUXCCZGWDTOQA-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.03
Rot. Bonds6

About 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine

2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine (PubChem CID 79718140) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine
PubChem CID79718140
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ncc(Br)cc1C
InChIInChI=1S/C14H23BrN2/c1-5-7-16-13(6-2)11(4)14-10(3)8-12(15)9-17-14/h8-9,11,13,16H,5-7H2,1-4H3
InChIKeyKXUXCCZGWDTOQA-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-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 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine (CID 79718140) is 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1ncc(Br)cc1C.
What is the InChIKey of 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine?
The InChIKey is KXUXCCZGWDTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-7-16-13(6-2)11(4)14-10(3)8-12(15)9-17-14/h8-9,11,13,16H,5-7H2,1-4H3.
What are the key properties of 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine?
2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine has a molecular weight of 299.26 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine is sourced from PubChem (CID 79718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).