5-bromo-4-N-cycloheptylpyridine-3,4-diamine

C12H18BrN3 — CID 103517668

IUPAC5-bromo-4-N-cycloheptylpyridine-3,4-diamine
SMILESNc1cncc(Br)c1NC1CCCCCC1
InChIInChI=1S/C12H18BrN3/c13-10-7-15-8-11(14)12(10)16-9-5-3-1-2-4-6-9/h7-9H,1-6,14H2,(H,15,16)
InChIKeyNOUPOKYICCALFP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-4-N-cycloheptylpyridine-3,4-diamine

5-bromo-4-N-cycloheptylpyridine-3,4-diamine (PubChem CID 103517668) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-4-N-cycloheptylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cycloheptylpyridine-3,4-diamine
PubChem CID103517668
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-4-N-cycloheptylpyridine-3,4-diamine
SMILESNc1cncc(Br)c1NC1CCCCCC1
InChIInChI=1S/C12H18BrN3/c13-10-7-15-8-11(14)12(10)16-9-5-3-1-2-4-6-9/h7-9H,1-6,14H2,(H,15,16)
InChIKeyNOUPOKYICCALFP-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cycloheptylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-cycloheptylpyridine-3,4-diamine (CID 103517668) is 5-bromo-4-N-cycloheptylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-cycloheptylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-cycloheptylpyridine-3,4-diamine is Nc1cncc(Br)c1NC1CCCCCC1.
What is the InChIKey of 5-bromo-4-N-cycloheptylpyridine-3,4-diamine?
The InChIKey is NOUPOKYICCALFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-10-7-15-8-11(14)12(10)16-9-5-3-1-2-4-6-9/h7-9H,1-6,14H2,(H,15,16).
What are the key properties of 5-bromo-4-N-cycloheptylpyridine-3,4-diamine?
5-bromo-4-N-cycloheptylpyridine-3,4-diamine has a molecular weight of 284.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cycloheptylpyridine-3,4-diamine is sourced from PubChem (CID 103517668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).