5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

C13H20BrN3 — CID 114046561

IUPAC5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCc1nc(NCCCN2CCCC2)ccc1Br
InChIInChI=1S/C13H20BrN3/c1-11-12(14)5-6-13(16-11)15-7-4-10-17-8-2-3-9-17/h5-6H,2-4,7-10H2,1H3,(H,15,16)
InChIKeyRWFWBEKDXPEAFT-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (PubChem CID 114046561) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
PubChem CID114046561
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCc1nc(NCCCN2CCCC2)ccc1Br
InChIInChI=1S/C13H20BrN3/c1-11-12(14)5-6-13(16-11)15-7-4-10-17-8-2-3-9-17/h5-6H,2-4,7-10H2,1H3,(H,15,16)
InChIKeyRWFWBEKDXPEAFT-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
6-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 80914696
N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 106544023
2-bromo-4-methyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960857
5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 177158499
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (CID 114046561) is 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is Cc1nc(NCCCN2CCCC2)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is RWFWBEKDXPEAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-11-12(14)5-6-13(16-11)15-7-4-10-17-8-2-3-9-17/h5-6H,2-4,7-10H2,1H3,(H,15,16).
What are the key properties of 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 114046561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).