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

C13H19BrN2O — CID 79718302

IUPAC2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(Br)cnc1NCC1CCCCC1O
InChIInChI=1S/C13H19BrN2O/c1-9-6-11(14)8-16-13(9)15-7-10-4-2-3-5-12(10)17/h6,8,10,12,17H,2-5,7H2,1H3,(H,15,16)
InChIKeyIVSVDROVEGEKTJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.12
Rot. Bonds3

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

2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 79718302) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID79718302
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc(Br)cnc1NCC1CCCCC1O
InChIInChI=1S/C13H19BrN2O/c1-9-6-11(14)8-16-13(9)15-7-10-4-2-3-5-12(10)17/h6,8,10,12,17H,2-5,7H2,1H3,(H,15,16)
InChIKeyIVSVDROVEGEKTJ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 79718760
2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841458
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972
2-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393731
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 79718302) is 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol is Cc1cc(Br)cnc1NCC1CCCCC1O.
What is the InChIKey of 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IVSVDROVEGEKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-6-11(14)8-16-13(9)15-7-10-4-2-3-5-12(10)17/h6,8,10,12,17H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.12, 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-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79718302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).