1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine

C11H17BrN2O — CID 104802296

IUPAC1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-15-6-2-3-10(13)7-11-5-4-9(12)8-14-11/h4-5,8,10H,2-3,6-7,13H2,1H3
InChIKeyNCHPKHYWEVQUHM-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.14
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine

1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine (PubChem CID 104802296) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
PubChem CID104802296
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-15-6-2-3-10(13)7-11-5-4-9(12)8-14-11/h4-5,8,10H,2-3,6-7,13H2,1H3
InChIKeyNCHPKHYWEVQUHM-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760732
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
CID 68710980
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
[1-(5-bromo-2-pyridinyl)-3-methoxypentan-2-yl]hydrazine
CID 105270656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine (CID 104802296) is 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine is COCCCC(N)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine?
The InChIKey is NCHPKHYWEVQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-15-6-2-3-10(13)7-11-5-4-9(12)8-14-11/h4-5,8,10H,2-3,6-7,13H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine?
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine has a molecular weight of 273.17 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine is sourced from PubChem (CID 104802296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).