3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine

C14H24BrN3 — CID 104506559

IUPAC3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC(C)CCCC(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-9(2)6-5-7-10(3)18-14-13(15)11(4)12(16)8-17-14/h8-10H,5-7,16H2,1-4H3,(H,17,18)
InChIKeySMIYSYZIVVJLBR-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.36
Rot. Bonds6

About 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine (PubChem CID 104506559) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
PubChem CID104506559
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC(C)CCCC(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-9(2)6-5-7-10(3)18-14-13(15)11(4)12(16)8-17-14/h8-10H,5-7,16H2,1-4H3,(H,17,18)
InChIKeySMIYSYZIVVJLBR-UHFFFAOYSA-N
XLogP4.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
CID 104506257
5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
CID 66281281
3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
CID 104506572
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114176742
3-bromo-4-methyl-N-(5-methylhexan-2-yl)-5-nitropyridin-2-amine
CID 104508000
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
CID 66278018
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-bromo-N-heptan-2-yl-4-methyl-5-nitropyridin-2-amine
CID 104507868

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine (CID 104506559) is 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine is Cc1c(N)cnc(NC(C)CCCC(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine?
The InChIKey is SMIYSYZIVVJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-9(2)6-5-7-10(3)18-14-13(15)11(4)12(16)8-17-14/h8-10H,5-7,16H2,1-4H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine has a molecular weight of 314.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 104506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).