N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine

C11H18BrN3 — CID 62587985

IUPACN'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
SMILESCCCCN(CCN)c1ccc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-2-3-7-15(8-6-13)11-5-4-10(12)9-14-11/h4-5,9H,2-3,6-8,13H2,1H3
InChIKeyAYPNTOIOBKBWGN-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.41
Rot. Bonds6

About N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine

N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine (PubChem CID 62587985) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
PubChem CID62587985
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
SMILESCCCCN(CCN)c1ccc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-2-3-7-15(8-6-13)11-5-4-10(12)9-14-11/h4-5,9H,2-3,6-8,13H2,1H3
InChIKeyAYPNTOIOBKBWGN-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine (CID 62587985) is N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine is CCCCN(CCN)c1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine?
The InChIKey is AYPNTOIOBKBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-2-3-7-15(8-6-13)11-5-4-10(12)9-14-11/h4-5,9H,2-3,6-8,13H2,1H3.
What are the key properties of N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine?
N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine is sourced from PubChem (CID 62587985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).