3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine

C12H20BrN3 — CID 106357544

IUPAC3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
SMILESCc1cc(NC(CCN)C(C)C)ncc1Br
InChIInChI=1S/C12H20BrN3/c1-8(2)11(4-5-14)16-12-6-9(3)10(13)7-15-12/h6-8,11H,4-5,14H2,1-3H3,(H,15,16)
InChIKeySPYJJHKIQXOHGM-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.94
Rot. Bonds5

About 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine

3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine (PubChem CID 106357544) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
PubChem CID106357544
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
SMILESCc1cc(NC(CCN)C(C)C)ncc1Br
InChIInChI=1S/C12H20BrN3/c1-8(2)11(4-5-14)16-12-6-9(3)10(13)7-15-12/h6-8,11H,4-5,14H2,1-3H3,(H,15,16)
InChIKeySPYJJHKIQXOHGM-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

2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
CID 106357708
3-N-(3-bromo-5-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357664
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine?
The IUPAC name of 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine (CID 106357544) is 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine is Cc1cc(NC(CCN)C(C)C)ncc1Br.
What is the InChIKey of 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine?
The InChIKey is SPYJJHKIQXOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-8(2)11(4-5-14)16-12-6-9(3)10(13)7-15-12/h6-8,11H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine?
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-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 3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine is sourced from PubChem (CID 106357544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).