1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C11H18BrN3 — CID 104796853

IUPAC1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1cncc(Br)c1)N(C)C
InChIInChI=1S/C11H18BrN3/c1-9(15(2)3)5-13-6-10-4-11(12)8-14-7-10/h4,7-9,13H,5-6H2,1-3H3
InChIKeyVNBFPEHWXUJJEV-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.88
Rot. Bonds5

About 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 104796853) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID104796853
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1cncc(Br)c1)N(C)C
InChIInChI=1S/C11H18BrN3/c1-9(15(2)3)5-13-6-10-4-11(12)8-14-7-10/h4,7-9,13H,5-6H2,1-3H3
InChIKeyVNBFPEHWXUJJEV-UHFFFAOYSA-N
XLogP1.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 113454150
N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 115778146
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
CID 107740697
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
N-[(5-bromo-3-pyridinyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 104856993
3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 104796849
1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 104797006
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 104796853) is 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1cncc(Br)c1)N(C)C.
What is the InChIKey of 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is VNBFPEHWXUJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-9(15(2)3)5-13-6-10-4-11(12)8-14-7-10/h4,7-9,13H,5-6H2,1-3H3.
What are the key properties of 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 104796853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).