N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine

C10H16BrN3 — CID 114869070

IUPACN'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
SMILESCc1cc(NCCCCN)ncc1Br
InChIInChI=1S/C10H16BrN3/c1-8-6-10(14-7-9(8)11)13-5-3-2-4-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeySEEJJTZDBREPNL-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.30
Rot. Bonds5

About N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine

N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine (PubChem CID 114869070) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
PubChem CID114869070
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
SMILESCc1cc(NCCCCN)ncc1Br
InChIInChI=1S/C10H16BrN3/c1-8-6-10(14-7-9(8)11)13-5-3-2-4-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeySEEJJTZDBREPNL-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
CID 114869393
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine?
The IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine (CID 114869070) is N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine.
What is the SMILES notation for N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine?
The canonical SMILES for N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine is Cc1cc(NCCCCN)ncc1Br.
What is the InChIKey of N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine?
The InChIKey is SEEJJTZDBREPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-8-6-10(14-7-9(8)11)13-5-3-2-4-12/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine?
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine has a molecular weight of 258.16 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine is sourced from PubChem (CID 114869070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).