N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine

C12H20BrN3 — CID 106251417

IUPACN'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccc(Br)cn1
InChIInChI=1S/C12H20BrN3/c1-3-12(4-2,8-14)9-16-11-6-5-10(13)7-15-11/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,16)
InChIKeyLYNIPMSIUXHFGV-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.02
Rot. Bonds6

About N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine

N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine (PubChem CID 106251417) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
PubChem CID106251417
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC NameN'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccc(Br)cn1
InChIInChI=1S/C12H20BrN3/c1-3-12(4-2,8-14)9-16-11-6-5-10(13)7-15-11/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,16)
InChIKeyLYNIPMSIUXHFGV-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 106251431
N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 114164178
3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165583
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine
CID 106251840
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile
CID 131735909
2,2-diethyl-N'-(6-methoxypyrazin-2-yl)propane-1,3-diamine
CID 106251654
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine (CID 106251417) is N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNc1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is LYNIPMSIUXHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-12(4-2,8-14)9-16-11-6-5-10(13)7-15-11/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 286.22 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 106251417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).