[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine

C12H17BrN2 — CID 104813752

IUPAC[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2/c13-11-4-5-12(15-8-11)6-9-2-1-3-10(9)7-14/h4-5,8-10H,1-3,6-7,14H2
InChIKeyIICMZIQGTMOBTM-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.76
Rot. Bonds3

About [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine

[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine (PubChem CID 104813752) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
PubChem CID104813752
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
SMILESNCC1CCCC1Cc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2/c13-11-4-5-12(15-8-11)6-9-2-1-3-10(9)7-14/h4-5,8-10H,1-3,6-7,14H2
InChIKeyIICMZIQGTMOBTM-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
CID 104813760
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
CID 104812252
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190834
2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
CID 104799754
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine (CID 104813752) is [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine is NCC1CCCC1Cc1ccc(Br)cn1.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine?
The InChIKey is IICMZIQGTMOBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-4-5-12(15-8-11)6-9-2-1-3-10(9)7-14/h4-5,8-10H,1-3,6-7,14H2.
What are the key properties of [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine?
[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine has a molecular weight of 269.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 104813752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).