3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine

C12H20BrN3O — CID 114097536

IUPAC3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
SMILESCC(C)COCCCNc1ncc(N)cc1Br
InChIInChI=1S/C12H20BrN3O/c1-9(2)8-17-5-3-4-15-12-11(13)6-10(14)7-16-12/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyINMBHKPWEPUDNG-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.90
Rot. Bonds7

About 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine

3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine (PubChem CID 114097536) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
PubChem CID114097536
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
SMILESCC(C)COCCCNc1ncc(N)cc1Br
InChIInChI=1S/C12H20BrN3O/c1-9(2)8-17-5-3-4-15-12-11(13)6-10(14)7-16-12/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyINMBHKPWEPUDNG-UHFFFAOYSA-N
XLogP2.90
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
N-[2-[(5-amino-3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79532367
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 114098601
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine (CID 114097536) is 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine is CC(C)COCCCNc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine?
The InChIKey is INMBHKPWEPUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-9(2)8-17-5-3-4-15-12-11(13)6-10(14)7-16-12/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine?
3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine has a molecular weight of 302.22 g/mol, XLogP of 2.90, 7 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-(2-methylpropoxy)propyl]pyridine-2,5-diamine is sourced from PubChem (CID 114097536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).