5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine

C11H17BrN2 — CID 107079248

IUPAC5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
SMILESCCCCN(C)c1ccc(CBr)cn1
InChIInChI=1S/C11H17BrN2/c1-3-4-7-14(2)11-6-5-10(8-12)9-13-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyKEUXWUXZXRENOV-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.21
Rot. Bonds5

About 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine

5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine (PubChem CID 107079248) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
PubChem CID107079248
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
SMILESCCCCN(C)c1ccc(CBr)cn1
InChIInChI=1S/C11H17BrN2/c1-3-4-7-14(2)11-6-5-10(8-12)9-13-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyKEUXWUXZXRENOV-UHFFFAOYSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 107081903
5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 107080438
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
CID 80633509
[6-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255396
6-[butyl(methyl)amino]pyridine-3-carbothioamide
CID 24696338
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085000
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008775

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine (CID 107079248) is 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine is CCCCN(C)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine?
The InChIKey is KEUXWUXZXRENOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-4-7-14(2)11-6-5-10(8-12)9-13-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine?
5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine has a molecular weight of 257.18 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine is sourced from PubChem (CID 107079248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).