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

C12H20BrN3 — CID 103518163

IUPAC5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
SMILESCCC(CC)C(C)Nc1c(N)cncc1Br
InChIInChI=1S/C12H20BrN3/c1-4-9(5-2)8(3)16-12-10(13)6-15-7-11(12)14/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyVQKZRYFYNSCMMY-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.66
Rot. Bonds5

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

5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine (PubChem CID 103518163) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
PubChem CID103518163
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
SMILESCCC(CC)C(C)Nc1c(N)cncc1Br
InChIInChI=1S/C12H20BrN3/c1-4-9(5-2)8(3)16-12-10(13)6-15-7-11(12)14/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyVQKZRYFYNSCMMY-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-but-3-en-2-ylpyridine-3,4-diamine
CID 103518485
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
5-bromo-4-N-pent-4-en-2-ylpyridine-3,4-diamine
CID 103518468
5-bromo-4-N-(4-ethylsulfanylbutan-2-yl)pyridine-3,4-diamine
CID 103518535
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
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,4-diamine
CID 103518129
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine (CID 103518163) is 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine is CCC(CC)C(C)Nc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine?
The InChIKey is VQKZRYFYNSCMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-9(5-2)8(3)16-12-10(13)6-15-7-11(12)14/h6-9H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine?
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine has a molecular weight of 286.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 103518163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).