3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine

C12H21BrN4 — CID 79531860

IUPAC3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
SMILESCN(C)CC(C)(C)CNc1ncc(N)cc1Br
InChIInChI=1S/C12H21BrN4/c1-12(2,8-17(3)4)7-16-11-10(13)5-9(14)6-15-11/h5-6H,7-8,14H2,1-4H3,(H,15,16)
InChIKeyMNXRTNBIWLZMBQ-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.43
Rot. Bonds5

About 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine

3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine (PubChem CID 79531860) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
PubChem CID79531860
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
SMILESCN(C)CC(C)(C)CNc1ncc(N)cc1Br
InChIInChI=1S/C12H21BrN4/c1-12(2,8-17(3)4)7-16-11-10(13)5-9(14)6-15-11/h5-6H,7-8,14H2,1-4H3,(H,15,16)
InChIKeyMNXRTNBIWLZMBQ-UHFFFAOYSA-N
XLogP2.43
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine (CID 79531860) is 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine is CN(C)CC(C)(C)CNc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine?
The InChIKey is MNXRTNBIWLZMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-12(2,8-17(3)4)7-16-11-10(13)5-9(14)6-15-11/h5-6H,7-8,14H2,1-4H3,(H,15,16).
What are the key properties of 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine?
3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine has a molecular weight of 301.23 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine is sourced from PubChem (CID 79531860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).