5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine

C13H21BrN2O — CID 113252097

IUPAC5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCCOCC(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(2)9-17-6-4-5-15-13-11(3)7-12(14)8-16-13/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyDZZOFUOESVRHRC-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.63
Rot. Bonds7

About 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine

5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine (PubChem CID 113252097) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
PubChem CID113252097
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NCCCOCC(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(2)9-17-6-4-5-15-13-11(3)7-12(14)8-16-13/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyDZZOFUOESVRHRC-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine (CID 113252097) is 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine is Cc1cc(Br)cnc1NCCCOCC(C)C.
What is the InChIKey of 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine?
The InChIKey is DZZOFUOESVRHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(2)9-17-6-4-5-15-13-11(3)7-12(14)8-16-13/h7-8,10H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine?
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine has a molecular weight of 301.23 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine is sourced from PubChem (CID 113252097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).