5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine

C12H18Br2N2 — CID 114869981

IUPAC5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(N(CCCBr)C(C)C)ncc1Br
InChIInChI=1S/C12H18Br2N2/c1-9(2)16(6-4-5-13)12-7-10(3)11(14)8-15-12/h7-9H,4-6H2,1-3H3
InChIKeyARMLJOVPDPGIDH-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.15
Rot. Bonds5

About 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine

5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 114869981) has the molecular formula C12H18Br2N2 and a molecular weight of 350.10 g/mol. Its IUPAC name is 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID114869981
Molecular FormulaC12H18Br2N2
Molecular Weight350.10 g/mol
Exact Mass347.98
IUPAC Name5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(N(CCCBr)C(C)C)ncc1Br
InChIInChI=1S/C12H18Br2N2/c1-9(2)16(6-4-5-13)12-7-10(3)11(14)8-15-12/h7-9H,4-6H2,1-3H3
InChIKeyARMLJOVPDPGIDH-UHFFFAOYSA-N
XLogP4.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-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

N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80674565
3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 114869122
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869637
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
N-(3-bromopropyl)-N-propan-2-ylquinoxalin-2-amine
CID 80674790
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine (CID 114869981) is 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine is Cc1cc(N(CCCBr)C(C)C)ncc1Br.
What is the InChIKey of 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is ARMLJOVPDPGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2/c1-9(2)16(6-4-5-13)12-7-10(3)11(14)8-15-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine?
5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 350.10 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114869981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).