5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine

C11H18BrN3S — CID 103518535

IUPAC5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
SMILESCCSCCC(C)Nc1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3S/c1-3-16-5-4-8(2)15-11-9(12)6-14-7-10(11)13/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyJLUDLRXNYBOBOI-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.37
Rot. Bonds6

About 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine

5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine (PubChem CID 103518535) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
PubChem CID103518535
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
SMILESCCSCCC(C)Nc1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3S/c1-3-16-5-4-8(2)15-11-9(12)6-14-7-10(11)13/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyJLUDLRXNYBOBOI-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
CID 115744781
5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
5-bromo-4-N-(1-pyridin-4-ylethyl)pyridine-3,4-diamine
CID 103517711
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine (CID 103518535) is 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine is CCSCCC(C)Nc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine?
The InChIKey is JLUDLRXNYBOBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-3-16-5-4-8(2)15-11-9(12)6-14-7-10(11)13/h6-8H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine?
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine has a molecular weight of 304.26 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 103518535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).