6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol

C12H18Br2N2O — CID 104573881

IUPAC6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ncc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O/c13-10-7-11(14)12(16-8-10)9-15-5-3-1-2-4-6-17/h7-8,15,17H,1-6,9H2
InChIKeySUUBDZSLVFSMQM-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.25
Rot. Bonds8

About 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol

6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol (PubChem CID 104573881) has the molecular formula C12H18Br2N2O and a molecular weight of 366.10 g/mol. Its IUPAC name is 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
PubChem CID104573881
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC Name6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ncc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O/c13-10-7-11(14)12(16-8-10)9-15-5-3-1-2-4-6-17/h7-8,15,17H,1-6,9H2
InChIKeySUUBDZSLVFSMQM-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106236398
2-[(3,5-dibromo-2-pyridinyl)methylamino]-N-methylethanesulfonamide
CID 102680182
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183499
(2S)-2-[(3,5-dibromo-2-pyridinyl)methylamino]butan-1-ol
CID 104980532
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 113393694
1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393726
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
CID 113352570
2-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393731
1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
CID 104573831
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 113393640
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 113428371

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol (CID 104573881) is 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol is OCCCCCCNCc1ncc(Br)cc1Br.
What is the InChIKey of 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol?
The InChIKey is SUUBDZSLVFSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c13-10-7-11(14)12(16-8-10)9-15-5-3-1-2-4-6-17/h7-8,15,17H,1-6,9H2.
What are the key properties of 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol?
6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol has a molecular weight of 366.10 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol is sourced from PubChem (CID 104573881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).