[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine

C11H15BrN2 — CID 84804892

IUPAC[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine
SMILESNCC1(c2ccncc2Br)CCCC1
InChIInChI=1S/C11H15BrN2/c12-10-7-14-6-3-9(10)11(8-13)4-1-2-5-11/h3,6-7H,1-2,4-5,8,13H2
InChIKeyUISXFGAEJKCSPC-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.61
Rot. Bonds2

About [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine

[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine (PubChem CID 84804892) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine
PubChem CID84804892
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine
SMILESNCC1(c2ccncc2Br)CCCC1
InChIInChI=1S/C11H15BrN2/c12-10-7-14-6-3-9(10)11(8-13)4-1-2-5-11/h3,6-7H,1-2,4-5,8,13H2
InChIKeyUISXFGAEJKCSPC-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine (CID 84804892) is [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine is NCC1(c2ccncc2Br)CCCC1.
What is the InChIKey of [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine?
The InChIKey is UISXFGAEJKCSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-7-14-6-3-9(10)11(8-13)4-1-2-5-11/h3,6-7H,1-2,4-5,8,13H2.
What are the key properties of [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine?
[1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine has a molecular weight of 255.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-pyridinyl)cyclopentyl]methanamine is sourced from PubChem (CID 84804892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).