2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C16H25BrN2 — CID 105036656

IUPAC2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCC(C)CC1(C(N)Cc2cncc(Br)c2)CCCC1
InChIInChI=1S/C16H25BrN2/c1-12(2)9-16(5-3-4-6-16)15(18)8-13-7-14(17)11-19-10-13/h7,10-12,15H,3-6,8-9,18H2,1-2H3
InChIKeyGFAMYQBSQMOJDD-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.32
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 105036656) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID105036656
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCC(C)CC1(C(N)Cc2cncc(Br)c2)CCCC1
InChIInChI=1S/C16H25BrN2/c1-12(2)9-16(5-3-4-6-16)15(18)8-13-7-14(17)11-19-10-13/h7,10-12,15H,3-6,8-9,18H2,1-2H3
InChIKeyGFAMYQBSQMOJDD-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 105036656) is 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CC(C)CC1(C(N)Cc2cncc(Br)c2)CCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is GFAMYQBSQMOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(2)9-16(5-3-4-6-16)15(18)8-13-7-14(17)11-19-10-13/h7,10-12,15H,3-6,8-9,18H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 325.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 105036656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).