5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine

C12H19BrN2 — CID 114869215

IUPAC5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(Nc1cc(C)c(Br)cn1)C(C)C
InChIInChI=1S/C12H19BrN2/c1-5-11(8(2)3)15-12-6-9(4)10(13)7-14-12/h6-8,11H,5H2,1-4H3,(H,14,15)
InChIKeyAUEYZBAFPCDGPT-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.00
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine

5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine (PubChem CID 114869215) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
PubChem CID114869215
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(Nc1cc(C)c(Br)cn1)C(C)C
InChIInChI=1S/C12H19BrN2/c1-5-11(8(2)3)15-12-6-9(4)10(13)7-14-12/h6-8,11H,5H2,1-4H3,(H,14,15)
InChIKeyAUEYZBAFPCDGPT-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
5,6-dimethyl-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 114475547
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine (CID 114869215) is 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine is CCC(Nc1cc(C)c(Br)cn1)C(C)C.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine?
The InChIKey is AUEYZBAFPCDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-5-11(8(2)3)15-12-6-9(4)10(13)7-14-12/h6-8,11H,5H2,1-4H3,(H,14,15).
What are the key properties of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine?
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 114869215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).