N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine

C11H18BrN3O — CID 106308374

IUPACN-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
SMILESCc1cnc(NCCCOCCN)c(Br)c1
InChIInChI=1S/C11H18BrN3O/c1-9-7-10(12)11(15-8-9)14-4-2-5-16-6-3-13/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyBSGYIXRLZVWCJX-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.93
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine

N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine (PubChem CID 106308374) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
PubChem CID106308374
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC NameN-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
SMILESCc1cnc(NCCCOCCN)c(Br)c1
InChIInChI=1S/C11H18BrN3O/c1-9-7-10(12)11(15-8-9)14-4-2-5-16-6-3-13/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyBSGYIXRLZVWCJX-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 102677386
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
CID 114097536
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine (CID 106308374) is N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine is Cc1cnc(NCCCOCCN)c(Br)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine?
The InChIKey is BSGYIXRLZVWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9-7-10(12)11(15-8-9)14-4-2-5-16-6-3-13/h7-8H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine?
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine has a molecular weight of 288.19 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine is sourced from PubChem (CID 106308374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).