2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H17BrN2O — CID 115657758

IUPAC2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-10-5-11(8-14-7-10)15-6-9-3-1-2-4-12(9)16/h5,7-9,12,15-16H,1-4,6H2
InChIKeyGWTCUFYDGBASGJ-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.81
Rot. Bonds3

About 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol

2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 115657758) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID115657758
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-10-5-11(8-14-7-10)15-6-9-3-1-2-4-12(9)16/h5,7-9,12,15-16H,1-4,6H2
InChIKeyGWTCUFYDGBASGJ-UHFFFAOYSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-amino-3-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 104535099
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
CID 104531921
trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
CID 99857915
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 71996706
4-[(2-hydroxycyclopentyl)methylamino]-1H-pyridazin-6-one
CID 114392296
2-(aminomethyl)-N-(5-bromo-3-pyridinyl)cyclopentane-1-carboxamide
CID 114222312
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
2-[(4-aminoanilino)methyl]cyclohexan-1-ol
CID 64930000

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 115657758) is 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNc1cncc(Br)c1.
What is the InChIKey of 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GWTCUFYDGBASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-10-5-11(8-14-7-10)15-6-9-3-1-2-4-12(9)16/h5,7-9,12,15-16H,1-4,6H2.
What are the key properties of 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol?
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115657758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).