2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine

C11H18BrN3 — CID 107517375

IUPAC2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine
SMILESCCNCC(C)NCc1ncccc1Br
InChIInChI=1S/C11H18BrN3/c1-3-13-7-9(2)15-8-11-10(12)5-4-6-14-11/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyFBIZXONELJTYHN-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.93
Rot. Bonds6

About 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine

2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine (PubChem CID 107517375) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine
PubChem CID107517375
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine
SMILESCCNCC(C)NCc1ncccc1Br
InChIInChI=1S/C11H18BrN3/c1-3-13-7-9(2)15-8-11-10(12)5-4-6-14-11/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyFBIZXONELJTYHN-UHFFFAOYSA-N
XLogP1.93
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 99981108
1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 102567815
N'-[(3-bromo-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine
CID 107517396
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104670189
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
N'-[(3-bromo-2-pyridinyl)methyl]propane-1,3-diamine
CID 107517395
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
CID 115895270
1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 75441618

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine (CID 107517375) is 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine is CCNCC(C)NCc1ncccc1Br.
What is the InChIKey of 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine?
The InChIKey is FBIZXONELJTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-13-7-9(2)15-8-11-10(12)5-4-6-14-11/h4-6,9,13,15H,3,7-8H2,1-2H3.
What are the key properties of 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine?
2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 107517375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).