5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine

C14H24BrN3 — CID 62278735

IUPAC5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(Br)cc1CNCC
InChIInChI=1S/C14H24BrN3/c1-4-6-7-8-18(3)14-12(10-16-5-2)9-13(15)11-17-14/h9,11,16H,4-8,10H2,1-3H3
InChIKeyHYJSUUQHOAOFMZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.58
Rot. Bonds8

About 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine

5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine (PubChem CID 62278735) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
PubChem CID62278735
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(Br)cc1CNCC
InChIInChI=1S/C14H24BrN3/c1-4-6-7-8-18(3)14-12(10-16-5-2)9-13(15)11-17-14/h9,11,16H,4-8,10H2,1-3H3
InChIKeyHYJSUUQHOAOFMZ-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-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

5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203331
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62293883
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine (CID 62278735) is 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine is CCCCCN(C)c1ncc(Br)cc1CNCC.
What is the InChIKey of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
The InChIKey is HYJSUUQHOAOFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-4-6-7-8-18(3)14-12(10-16-5-2)9-13(15)11-17-14/h9,11,16H,4-8,10H2,1-3H3.
What are the key properties of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine?
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine is sourced from PubChem (CID 62278735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).