4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C14H23BrN2 — CID 104813797

IUPAC4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)Cc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-11(2)8-16-5-4-12(3)6-13-7-14(15)10-17-9-13/h7,9-12,16H,4-6,8H2,1-3H3
InChIKeyOJIJEUJSBJOPPQ-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.66
Rot. Bonds7

About 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 104813797) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID104813797
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)Cc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-11(2)8-16-5-4-12(3)6-13-7-14(15)10-17-9-13/h7,9-12,16H,4-6,8H2,1-3H3
InChIKeyOJIJEUJSBJOPPQ-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018871
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 104813797) is 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)Cc1cncc(Br)c1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is OJIJEUJSBJOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-11(2)8-16-5-4-12(3)6-13-7-14(15)10-17-9-13/h7,9-12,16H,4-6,8H2,1-3H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 104813797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).