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

C13H22BrN3 — CID 79531788

IUPAC3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
SMILESCC(C)CN(CC(C)C)c1ncc(N)cc1Br
InChIInChI=1S/C13H22BrN3/c1-9(2)7-17(8-10(3)4)13-12(14)5-11(15)6-16-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyLIMIPKIQADZOHE-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.54
Rot. Bonds5

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

3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine (PubChem CID 79531788) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
PubChem CID79531788
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
SMILESCC(C)CN(CC(C)C)c1ncc(N)cc1Br
InChIInChI=1S/C13H22BrN3/c1-9(2)7-17(8-10(3)4)13-12(14)5-11(15)6-16-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyLIMIPKIQADZOHE-UHFFFAOYSA-N
XLogP3.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
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
3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
CID 79532538
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585
1-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79534481
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine (CID 79531788) is 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine is CC(C)CN(CC(C)C)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
The InChIKey is LIMIPKIQADZOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-9(2)7-17(8-10(3)4)13-12(14)5-11(15)6-16-13/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine?
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine has a molecular weight of 300.24 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).