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

C10H17BrN4 — CID 79717838

IUPACN'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(Br)cnc1N(CCN)CCN
InChIInChI=1S/C10H17BrN4/c1-8-6-9(11)7-14-10(8)15(4-2-12)5-3-13/h6-7H,2-5,12-13H2,1H3
InChIKeyKRPRDVLMCVROMY-UHFFFAOYSA-N
MW273.18 g/mol
LogP0.88
Rot. Bonds5

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

N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 79717838) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID79717838
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC NameN'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(Br)cnc1N(CCN)CCN
InChIInChI=1S/C10H17BrN4/c1-8-6-9(11)7-14-10(8)15(4-2-12)5-3-13/h6-7H,2-5,12-13H2,1H3
InChIKeyKRPRDVLMCVROMY-UHFFFAOYSA-N
XLogP0.88
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine (CID 79717838) is N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine is Cc1cc(Br)cnc1N(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is KRPRDVLMCVROMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-8-6-9(11)7-14-10(8)15(4-2-12)5-3-13/h6-7H,2-5,12-13H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 273.18 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 79717838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).