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

C12H20BrN3 — CID 107159322

IUPAC1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCc1cc(NCC(N)CC(C)C)ncc1Br
InChIInChI=1S/C12H20BrN3/c1-8(2)4-10(14)6-15-12-5-9(3)11(13)7-16-12/h5,7-8,10H,4,6,14H2,1-3H3,(H,15,16)
InChIKeyQFLHSXNIRHAZCM-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.94
Rot. Bonds5

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

1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine (PubChem CID 107159322) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
PubChem CID107159322
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCc1cc(NCC(N)CC(C)C)ncc1Br
InChIInChI=1S/C12H20BrN3/c1-8(2)4-10(14)6-15-12-5-9(3)11(13)7-16-12/h5,7-8,10H,4,6,14H2,1-3H3,(H,15,16)
InChIKeyQFLHSXNIRHAZCM-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

1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159277
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
4-methyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 107159425
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine (CID 107159322) is 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine is Cc1cc(NCC(N)CC(C)C)ncc1Br.
What is the InChIKey of 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine?
The InChIKey is QFLHSXNIRHAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-8(2)4-10(14)6-15-12-5-9(3)11(13)7-16-12/h5,7-8,10H,4,6,14H2,1-3H3,(H,15,16).
What are the key properties of 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine?
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-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 1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).