3-[(4R)-4-bromohexyl]pyridin-2-amine

C11H17BrN2 — CID 95376898

IUPAC3-[(4R)-4-bromohexyl]pyridin-2-amine
SMILESCC[C@@H](Br)CCCc1cccnc1N
InChIInChI=1S/C11H17BrN2/c1-2-10(12)7-3-5-9-6-4-8-14-11(9)13/h4,6,8,10H,2-3,5,7H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyGLUHZTWFESUJGA-SNVBAGLBSA-N
MW257.17 g/mol
LogP3.16
Rot. Bonds5

About 3-[(4R)-4-bromohexyl]pyridin-2-amine

3-[(4R)-4-bromohexyl]pyridin-2-amine (PubChem CID 95376898) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-[(4R)-4-bromohexyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4R)-4-bromohexyl]pyridin-2-amine
PubChem CID95376898
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name3-[(4R)-4-bromohexyl]pyridin-2-amine
SMILESCC[C@@H](Br)CCCc1cccnc1N
InChIInChI=1S/C11H17BrN2/c1-2-10(12)7-3-5-9-6-4-8-14-11(9)13/h4,6,8,10H,2-3,5,7H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyGLUHZTWFESUJGA-SNVBAGLBSA-N
XLogP3.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-bromohexyl]pyridin-2-amine?
The IUPAC name of 3-[(4R)-4-bromohexyl]pyridin-2-amine (CID 95376898) is 3-[(4R)-4-bromohexyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4R)-4-bromohexyl]pyridin-2-amine?
The canonical SMILES for 3-[(4R)-4-bromohexyl]pyridin-2-amine is CC[C@@H](Br)CCCc1cccnc1N.
What is the InChIKey of 3-[(4R)-4-bromohexyl]pyridin-2-amine?
The InChIKey is GLUHZTWFESUJGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-10(12)7-3-5-9-6-4-8-14-11(9)13/h4,6,8,10H,2-3,5,7H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of 3-[(4R)-4-bromohexyl]pyridin-2-amine?
3-[(4R)-4-bromohexyl]pyridin-2-amine has a molecular weight of 257.17 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-bromohexyl]pyridin-2-amine is sourced from PubChem (CID 95376898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).