1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol

C13H21BrN2O — CID 104797006

IUPAC1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-10(2)5-13(3,17)9-16-7-11-4-12(14)8-15-6-11/h4,6,8,10,16-17H,5,7,9H2,1-3H3
InChIKeyQXFBECYAVIEKDB-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.73
Rot. Bonds6

About 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol

1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 104797006) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID104797006
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-10(2)5-13(3,17)9-16-7-11-4-12(14)8-15-6-11/h4,6,8,10,16-17H,5,7,9H2,1-3H3
InChIKeyQXFBECYAVIEKDB-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104857055
N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
CID 66181252

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol (CID 104797006) is 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is QXFBECYAVIEKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(2)5-13(3,17)9-16-7-11-4-12(14)8-15-6-11/h4,6,8,10,16-17H,5,7,9H2,1-3H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 104797006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).