3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine

C11H17BrN2 — CID 84805510

IUPAC3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1cnccc1Br
InChIInChI=1S/C11H17BrN2/c1-8(2)9(3-5-13)10-7-14-6-4-11(10)12/h4,6-9H,3,5,13H2,1-2H3
InChIKeyZZVOJCCUXFEWIX-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.93
Rot. Bonds4

About 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine

3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine (PubChem CID 84805510) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
PubChem CID84805510
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1cnccc1Br
InChIInChI=1S/C11H17BrN2/c1-8(2)9(3-5-13)10-7-14-6-4-11(10)12/h4,6-9H,3,5,13H2,1-2H3
InChIKeyZZVOJCCUXFEWIX-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-3-pyridinyl)-4-methylpentan-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-bromo-3-(1-bromoethyl)pyridine
CID 119087167
(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
CID 130713108
3-(3-amino-4-pyridinyl)pentane-1,4-diamine
CID 90212207
3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine
CID 84776610
3-(3-bromo-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84814432
5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
CID 84809703
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104779291
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine?
The IUPAC name of 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine (CID 84805510) is 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine?
The canonical SMILES for 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine is CC(C)C(CCN)c1cnccc1Br.
What is the InChIKey of 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine?
The InChIKey is ZZVOJCCUXFEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8(2)9(3-5-13)10-7-14-6-4-11(10)12/h4,6-9H,3,5,13H2,1-2H3.
What are the key properties of 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine?
3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine has a molecular weight of 257.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine is sourced from PubChem (CID 84805510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).