5-bromo-N-hexylpyridin-3-amine

C11H17BrN2 — CID 115656852

IUPAC5-bromo-N-hexylpyridin-3-amine
SMILESCCCCCCNc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-3-4-5-6-14-11-7-10(12)8-13-9-11/h7-9,14H,2-6H2,1H3
InChIKeyCBZKOVQCVYUMPN-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.84
Rot. Bonds6

About 5-bromo-N-hexylpyridin-3-amine

5-bromo-N-hexylpyridin-3-amine (PubChem CID 115656852) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-bromo-N-hexylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-hexylpyridin-3-amine
PubChem CID115656852
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-bromo-N-hexylpyridin-3-amine
SMILESCCCCCCNc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-3-4-5-6-14-11-7-10(12)8-13-9-11/h7-9,14H,2-6H2,1H3
InChIKeyCBZKOVQCVYUMPN-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.84
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

5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-N-decylpyridine-3,5-diamine
CID 104535317
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-bromo-N-octylaniline
CID 43129310
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
CID 115657144
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145
4-bromo-3,5-dimethyl-N-nonylaniline
CID 107573583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hexylpyridin-3-amine?
The IUPAC name of 5-bromo-N-hexylpyridin-3-amine (CID 115656852) is 5-bromo-N-hexylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-hexylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-hexylpyridin-3-amine is CCCCCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-hexylpyridin-3-amine?
The InChIKey is CBZKOVQCVYUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-3-4-5-6-14-11-7-10(12)8-13-9-11/h7-9,14H,2-6H2,1H3.
What are the key properties of 5-bromo-N-hexylpyridin-3-amine?
5-bromo-N-hexylpyridin-3-amine has a molecular weight of 257.17 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hexylpyridin-3-amine is sourced from PubChem (CID 115656852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).