3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine

C13H22BrN3O2 — CID 82965351

IUPAC3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
SMILESCCOCCN(CCOCC)c1ncc(N)cc1Br
InChIInChI=1S/C13H22BrN3O2/c1-3-18-7-5-17(6-8-19-4-2)13-12(14)9-11(15)10-16-13/h9-10H,3-8,15H2,1-2H3
InChIKeyYSIKXLQQMXAJBE-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.31
Rot. Bonds9

About 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine

3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine (PubChem CID 82965351) has the molecular formula C13H22BrN3O2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
PubChem CID82965351
Molecular FormulaC13H22BrN3O2
Molecular Weight332.24 g/mol
Exact Mass331.09
IUPAC Name3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
SMILESCCOCCN(CCOCC)c1ncc(N)cc1Br
InChIInChI=1S/C13H22BrN3O2/c1-3-18-7-5-17(6-8-19-4-2)13-12(14)9-11(15)10-16-13/h9-10H,3-8,15H2,1-2H3
InChIKeyYSIKXLQQMXAJBE-UHFFFAOYSA-N
XLogP2.31
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(2-ethoxyethoxy)pyridin-3-amine
CID 79534577
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
CID 79535258
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
CID 79532538
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
CID 66280209
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine (CID 82965351) is 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine is CCOCCN(CCOCC)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine?
The InChIKey is YSIKXLQQMXAJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O2/c1-3-18-7-5-17(6-8-19-4-2)13-12(14)9-11(15)10-16-13/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine?
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine has a molecular weight of 332.24 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine is sourced from PubChem (CID 82965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).