2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol

C13H19BrN2O — CID 104797130

IUPAC2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O/c14-11-6-10(7-15-9-11)8-16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5,8H2
InChIKeyLVUPJXHZGJUAEF-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.63
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol

2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol (PubChem CID 104797130) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
PubChem CID104797130
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O/c14-11-6-10(7-15-9-11)8-16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5,8H2
InChIKeyLVUPJXHZGJUAEF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
CID 104531921
N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
CID 113454132
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
CID 99857915
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 62365273
N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104797025
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol (CID 104797130) is 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol is OC1CCCCCC1NCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol?
The InChIKey is LVUPJXHZGJUAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-11-6-10(7-15-9-11)8-16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5,8H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol?
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 2.63, 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)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 104797130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).