3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine

C10H15BrN2 — CID 104810425

IUPAC3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-8(5-12-2)3-9-4-10(11)7-13-6-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeyZJVDAGNIKBYINQ-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.24
Rot. Bonds4

About 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine

3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine (PubChem CID 104810425) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
PubChem CID104810425
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-8(5-12-2)3-9-4-10(11)7-13-6-9/h4,6-8,12H,3,5H2,1-2H3
InChIKeyZJVDAGNIKBYINQ-UHFFFAOYSA-N
XLogP2.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104813797
3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 104810803
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
3-(3-bromo-2-methylpropyl)-5-methylpyridine
CID 115375378
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
CID 105334788
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine (CID 104810425) is 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine is CNCC(C)Cc1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine?
The InChIKey is ZJVDAGNIKBYINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8(5-12-2)3-9-4-10(11)7-13-6-9/h4,6-8,12H,3,5H2,1-2H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 104810425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).