5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine

C11H16Br2N2 — CID 80669398

IUPAC5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
SMILESCCCCN(CCBr)c1ccc(Br)cn1
InChIInChI=1S/C11H16Br2N2/c1-2-3-7-15(8-6-12)11-5-4-10(13)9-14-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyVLROIRHESKOBKI-UHFFFAOYSA-N
MW336.07 g/mol
LogP3.85
Rot. Bonds6

About 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine

5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine (PubChem CID 80669398) has the molecular formula C11H16Br2N2 and a molecular weight of 336.07 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
PubChem CID80669398
Molecular FormulaC11H16Br2N2
Molecular Weight336.07 g/mol
Exact Mass333.97
IUPAC Name5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
SMILESCCCCN(CCBr)c1ccc(Br)cn1
InChIInChI=1S/C11H16Br2N2/c1-2-3-7-15(8-6-12)11-5-4-10(13)9-14-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyVLROIRHESKOBKI-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 53.85
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

N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
CID 62587985
3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol
CID 133346518
N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
CID 80674163
5-bromo-N-heptyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 141142072
N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
CID 115622533
5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
CID 63392030
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
N-(2-bromoethyl)-N-butyl-5-methylpyrimidin-2-amine
CID 80669848
N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
CID 165394201
N'-[(5-bromo-2-pyridinyl)methyl]-N'-butylethane-1,2-diamine
CID 104798124
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine (CID 80669398) is 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine is CCCCN(CCBr)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine?
The InChIKey is VLROIRHESKOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2/c1-2-3-7-15(8-6-12)11-5-4-10(13)9-14-11/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine?
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine has a molecular weight of 336.07 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine is sourced from PubChem (CID 80669398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).