N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine

C12H20BrN3 — CID 106142320

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
SMILESCc1cc(NCC(C)(C)CCN)ncc1Br
InChIInChI=1S/C12H20BrN3/c1-9-6-11(15-7-10(9)13)16-8-12(2,3)4-5-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyXEOWUHGFFIXSPV-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.94
Rot. Bonds5

About N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine

N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 106142320) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID106142320
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
SMILESCc1cc(NCC(C)(C)CCN)ncc1Br
InChIInChI=1S/C12H20BrN3/c1-9-6-11(15-7-10(9)13)16-8-12(2,3)4-5-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyXEOWUHGFFIXSPV-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
N-(5-bromopyrimidin-4-yl)-2,2-dimethylbutane-1,4-diamine
CID 106142190
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142213
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine (CID 106142320) is N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine is Cc1cc(NCC(C)(C)CCN)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is XEOWUHGFFIXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-9-6-11(15-7-10(9)13)16-8-12(2,3)4-5-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 286.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 106142320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).