2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol

C13H19BrN2O — CID 133344187

IUPAC2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
SMILESCC1(CNc2ccc(Br)cn2)CCCCC1O
InChIInChI=1S/C13H19BrN2O/c1-13(7-3-2-4-11(13)17)9-16-12-6-5-10(14)8-15-12/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyRTXJQYQZVDERJU-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.20
Rot. Bonds3

About 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol

2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol (PubChem CID 133344187) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
PubChem CID133344187
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
SMILESCC1(CNc2ccc(Br)cn2)CCCCC1O
InChIInChI=1S/C13H19BrN2O/c1-13(7-3-2-4-11(13)17)9-16-12-6-5-10(14)8-15-12/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyRTXJQYQZVDERJU-UHFFFAOYSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol (CID 133344187) is 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol is CC1(CNc2ccc(Br)cn2)CCCCC1O.
What is the InChIKey of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol?
The InChIKey is RTXJQYQZVDERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(7-3-2-4-11(13)17)9-16-12-6-5-10(14)8-15-12/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,15,16).
What are the key properties of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol?
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 133344187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).