3-bromo-N-butyl-5-methylpyridin-2-amine

C10H15BrN2 — CID 82477943

IUPAC3-bromo-N-butyl-5-methylpyridin-2-amine
SMILESCCCCNc1ncc(C)cc1Br
InChIInChI=1S/C10H15BrN2/c1-3-4-5-12-10-9(11)6-8(2)7-13-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRTCJIBBZBJKDTK-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N-butyl-5-methylpyridin-2-amine

3-bromo-N-butyl-5-methylpyridin-2-amine (PubChem CID 82477943) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-bromo-N-butyl-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-butyl-5-methylpyridin-2-amine
PubChem CID82477943
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-bromo-N-butyl-5-methylpyridin-2-amine
SMILESCCCCNc1ncc(C)cc1Br
InChIInChI=1S/C10H15BrN2/c1-3-4-5-12-10-9(11)6-8(2)7-13-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRTCJIBBZBJKDTK-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-bromo-N-butyl-5-methylpyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 102677386
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-butyl-5-methylpyridin-2-amine (CID 82477943) is 3-bromo-N-butyl-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-butyl-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-butyl-5-methylpyridin-2-amine is CCCCNc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-N-butyl-5-methylpyridin-2-amine?
The InChIKey is RTCJIBBZBJKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-3-4-5-12-10-9(11)6-8(2)7-13-10/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-N-butyl-5-methylpyridin-2-amine?
3-bromo-N-butyl-5-methylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-5-methylpyridin-2-amine is sourced from PubChem (CID 82477943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).