4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine

C11H17BrN2 — CID 167637244

IUPAC4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-14(2)8-4-3-5-11-7-6-10(12)9-13-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHPHSEHXQXPLDJJ-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.73
Rot. Bonds5

About 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine

4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine (PubChem CID 167637244) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
PubChem CID167637244
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-14(2)8-4-3-5-11-7-6-10(12)9-13-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHPHSEHXQXPLDJJ-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-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

4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
5-bromo-2-(4-chloroheptyl)pyridine
CID 104812176
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733
2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
CID 105487467

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine (CID 167637244) is 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine is CN(C)CCCCc1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine?
The InChIKey is HPHSEHXQXPLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-14(2)8-4-3-5-11-7-6-10(12)9-13-11/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine?
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine has a molecular weight of 257.18 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 167637244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).