N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine

C9H14BrN3 — CID 14397364

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1cc(Br)cnc1NCCCN
InChIInChI=1S/C9H14BrN3/c1-7-5-8(10)6-13-9(7)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyFZBIPRAFLGSQNV-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.91
Rot. Bonds4

About N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine

N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 14397364) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
PubChem CID14397364
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1cc(Br)cnc1NCCCN
InChIInChI=1S/C9H14BrN3/c1-7-5-8(10)6-13-9(7)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyFZBIPRAFLGSQNV-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.91
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

1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N'-(5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 139496375
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine (CID 14397364) is N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine is Cc1cc(Br)cnc1NCCCN.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is FZBIPRAFLGSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-7-5-8(10)6-13-9(7)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,13).
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine?
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 244.14 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 14397364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).