N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine

C11H18BrN3 — CID 106550679

IUPACN-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine
SMILESCCCCN(CCBr)c1cc(C)cnn1
InChIInChI=1S/C11H18BrN3/c1-3-4-6-15(7-5-12)11-8-10(2)9-13-14-11/h8-9H,3-7H2,1-2H3
InChIKeyBCTRBJRQCFLJPR-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.79
Rot. Bonds6

About N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine

N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine (PubChem CID 106550679) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine
PubChem CID106550679
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine
SMILESCCCCN(CCBr)c1cc(C)cnn1
InChIInChI=1S/C11H18BrN3/c1-3-4-6-15(7-5-12)11-8-10(2)9-13-14-11/h8-9H,3-7H2,1-2H3
InChIKeyBCTRBJRQCFLJPR-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
CID 106550689
N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
CID 80669848
N'-(2-methoxyethyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549268
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
CID 80669398
3-[ethyl-(5-methylpyridazin-3-yl)amino]propanenitrile
CID 106549278
N-(2-bromoethyl)-N-butyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 80669751
N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
CID 80674163
N-(2-bromoethyl)-N-butyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203373
N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
CID 106550604
3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
CID 106549298
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 106549390

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine (CID 106550679) is N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine is CCCCN(CCBr)c1cc(C)cnn1.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine?
The InChIKey is BCTRBJRQCFLJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-4-6-15(7-5-12)11-8-10(2)9-13-14-11/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine?
N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine has a molecular weight of 272.19 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).