1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine

C11H18BrN3 — CID 106127370

IUPAC1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
SMILESCc1cc(Br)cnc1NCCCC(C)N
InChIInChI=1S/C11H18BrN3/c1-8-6-10(12)7-15-11(8)14-5-3-4-9(2)13/h6-7,9H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyQCVWDEAMJSFZEB-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.69
Rot. Bonds5

About 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine

1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine (PubChem CID 106127370) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
PubChem CID106127370
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
SMILESCc1cc(Br)cnc1NCCCC(C)N
InChIInChI=1S/C11H18BrN3/c1-8-6-10(12)7-15-11(8)14-5-3-4-9(2)13/h6-7,9H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyQCVWDEAMJSFZEB-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.69
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

N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 79718760
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119806
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine (CID 106127370) is 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine is Cc1cc(Br)cnc1NCCCC(C)N.
What is the InChIKey of 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine?
The InChIKey is QCVWDEAMJSFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-6-10(12)7-15-11(8)14-5-3-4-9(2)13/h6-7,9H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine?
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine is sourced from PubChem (CID 106127370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).